Analgesics
Antiandrogens
Antihistamines
Azvudine
Bromhexine
Budesonide
Colchicine
Conv. Plasma
Curcumin
Famotidine
Favipiravir
Fluvoxamine
Hydroxychlor..
Ivermectin
Lifestyle
Melatonin
Metformin
Minerals
Molnupiravir
Monoclonals
Naso/orophar..
Nigella Sativa
Nitazoxanide
PPIs
Paxlovid
Quercetin
Remdesivir
Thermotherapy
Vitamins
More

Other
Feedback
Home
Top
Abstract
All quercetin studies
Meta analysis
 
Feedback
Home
next
study
previous
study
c19early.org COVID-19 treatment researchQuercetinQuercetin (more..)
Melatonin Meta
Metformin Meta
Antihistamines Meta
Azvudine Meta Molnupiravir Meta
Bromhexine Meta
Budesonide Meta
Colchicine Meta Nigella Sativa Meta
Conv. Plasma Meta Nitazoxanide Meta
Curcumin Meta PPIs Meta
Famotidine Meta Paxlovid Meta
Favipiravir Meta Quercetin Meta
Fluvoxamine Meta Remdesivir Meta
Hydroxychlor.. Meta Thermotherapy Meta
Ivermectin Meta

All Studies   Meta Analysis       

Computational studies of potential antiviral compounds from some selected Nigerian medicinal plants against SARS-CoV-2 proteins

Ibeh et al., Informatics in Medicine Unlocked, doi:10.1016/j.imu.2023.101230
Mar 2023  
  Post
  Facebook
Share
  Source   PDF   All Studies   Meta AnalysisMeta
Quercetin for COVID-19
24th treatment shown to reduce risk in July 2021, now with p = 0.0031 from 11 studies.
No treatment is 100% effective. Protocols combine treatments.
5,100+ studies for 110 treatments. c19early.org
In Silico study identifying quercetin and naringenin as potent multitarget-directed ligands for 3CLpro, PLpro, and ACE2 with favorable ADME properties.
71 preclinical studies support the efficacy of quercetin for COVID-19:
In Silico studies predict inhibition of SARS-CoV-2, or minimization of side effects, with quercetin or metabolites via binding to the spikeA,2,8,9,21,23,24,29,37,38,40,41,61-63, MproB,2,6,8,10,12,14,16,17,19,22,23,29,33,35-37,41,42,44,62-64, RNA-dependent RNA polymeraseC,2,8,31,63, PLproD,2,36,44, ACE2E,21,22,27,36,40,62, TMPRSS2F,21, nucleocapsidG,2, helicaseH,2,28,33, endoribonucleaseI,38, NSP16/10J,5, cathepsin LK,25, Wnt-3L,21, FZDM,21, LRP6N,21, ezrinO,39, ADRPP,37, NRP1Q,40, EP300R,15, PTGS2S,22, HSP90AA1T,15,22, matrix metalloproteinase 9U,30, IL-6V,20,34, IL-10W,20, VEGFAX,34, and RELAY,34 proteins. In Vitro studies demonstrate inhibition of the MproB,14,45,50,58 protein, and inhibition of spike-ACE2 interactionZ,46. In Vitro studies demonstrate efficacy in Calu-3AA,49, A549AB,20, HEK293-ACE2+AC,57, Huh-7AD,24, Caco-2AE,48, Vero E6AF,18,41,48, mTECAG,51, and RAW264.7AH,51 cells. Animal studies demonstrate efficacy in K18-hACE2 miceAI,54, db/db miceAJ,51,60, BALB/c miceAK,59, and rats65. Quercetin reduced proinflammatory cytokines and protected lung and kidney tissue against LPS-induced damage in mice59, inhibits LPS-induced cytokine storm by modulating key inflammatory and antioxidant pathways in macrophages4, and inhibits SARS-CoV-2 ORF3a ion channel activity, which contributes to viral pathogenicity and cytotoxicity53.
Ibeh et al., 22 Mar 2023, peer-reviewed, 12 authors. Contact: lawalmonsurat635@gmail.com.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
This PaperQuercetinAll
Computational studies of potential antiviral compounds from some selected Nigerian medicinal plants against SARS-CoV-2 proteins
Raymond C Ibeh, Gavin C Ikechukwu, Chinonyerem J Ukweni, Israel C Omekara, Amanda U Ezirim, Favour N Ujowundu, Ebere O Eziefuna, Callistus I Iheme, Sunday O Oyedemi, Hezekiel M Kumalo, Umar Ndagi, Monsurat M Lawal
Informatics in Medicine Unlocked, doi:10.1016/j.imu.2023.101230
This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
Ethical Approval Not applicable Competing interests The authors declare no conflict of interest. Authors' contributions RCI Competing interests The authors declare no conflict of interest. Authors' contributions RCI -Conceptualization
References
Adeowo, Tailored Modeling of Rivastigmine Derivatives as Dual Acetylcholinesterase and Butyrylcholinesterase Inhibitors for Alzheimer's Disease Treatment, Chem Biodivers
Agrawal, Agrawal, Blunden, Quercetin: antiviral significance and possible COVID-19 integrative considerations, Natural Product Communications
Alberca, Perspective: The potential effects of naringenin in COVID-19, Frontiers in Immunology
Andrade, Chlorella and spirulina microalgae as sources of functional foods, Nutraceuticals, and Food Supplements
Antunes-Ricardo, Isorhamnetin glycoside isolated from Opuntia ficus-indica (L.) MilI induces apoptosis in human colon cancer cells through mitochondrial damage, Chem Biol Interact
Aucoin, The effect of quercetin on the prevention or treatment of COVID-19 and other respiratory tract infections in humans: A rapid review, Advances in integrative medicine
Bailly, The subgroup of 2'-hydroxy-flavonoids: molecular diversity, mechanism of action, and anticancer properties, Bioorganic & Medicinal Chemistry
Bastaminejad, Bakhtiyari, Quercetin and its Relative Therapeutic Potencial Against COVID-19: A Retrospective Review and Prospective Overview, Current molecular medicine
Berendsen, Molecular dynamics with coupling to an external bath, The Journal of Chemical Physics
Berman, The Protein Data Bank, Nucleic Acids Research
Biovia, Discovery Studio Modeling Environment
Bose, A plant-derived dehydrorotenoid: a new inhibitor of hepatitis C virus entry, FEBS Lett
Case, None, Amber
Chaiyasit, Torkaew, Boonsiri, Medicinal plants and the communication on precautionary use of herbs during COVID-19 outbreak in Thailand, Bioactive Compounds in Health and Disease
Chikane, Parwate, Ingle, In Vitro Study of Antibacterial Activity of γ-irradiated and Unirradiated Leguminous Seed Coats, International Journal of Pharmaceutical and Biological Archives
Clementi, Naringenin is a powerful inhibitor of SARS-CoV-2 infection in vitro, Pharmacological research
Dabaghian, Khanavi, Zarshenas, Bioactive compounds with possible inhibitory activity of Angiotensin-Converting Enzyme-II; a gate to manage and prevent COVID-19, Medical hypotheses
Dai, Emodin inhibition of influenza A virus replication and influenza viral pneumonia via the Nrf2, TLR4, p38/JNK and NF-kappaB pathways, Molecules
Daina, Michielin, Zoete, SwissADME: a free web tool to evaluate pharmacokinetics, druglikeness and medicinal chemistry friendliness of small molecules, Sci Rep
Darden, York, Pedersen, The effect of long-range electrostatic interactions in simulations of macromolecular crystals-a comparison of the ewald and truncated list methods, The Journal of Chemical Physics
Derosa, A role for quercetin in coronavirus disease 2019 (COVID-19), Phytotherapy Research
Du, Revealing the therapeutic targets and molecular mechanisms of emodin-treated coronavirus disease 2019 via a systematic study of network pharmacology, Aging
Dubey, Dubey, Computation screening of narcissoside a glycosyloxyflavone for potential novel coronavirus 2019 (COVID-19) inhibitor, Biomedical journal
El Babili, Reflection on medicinal plants, especially antivirals and how to reconsider ethnobotany as an interesting way for health preservation, African Journal of Pharmacy and Pharmacology
El Shoubaky, Isolation and Identification of a Flavone Apigenin from Marine Red Alga Acanthophora spicifera with Antinociceptive and Anti-Inflammatory Activities, J Exp Neurosci
Elwakil, Potential anti-COVID-19 activity of Egyptian propolis using computational modeling, Future Virology
Esimone, In vitro pharmacodynamic evaluation of antiviral medicinal plants using a vectorbased assay technique, Journal of applied microbiology
Filippini, Could the inhibition of endo-lysosomal two-pore channels (TPCs) by the natural flavonoid naringenin represent an option to fight SARS-CoV-2 infection?, Frontiers in microbiology
Gao, -Q, Xu, Chen, In silico screening of potential Chinese herbal medicine against COVID-19 by targeting SARS-CoV-2 3CLpro and angiotensin converting enzyme II using molecular docking, Chinese Journal of Integrative Medicine
Gates, Responding to Covid-19 -A Once-in-a-Century Pandemic?, N Engl J Med
Gautret, Hydroxychloroquine and azithromycin as a treatment of COVID-19: results of an openlabel non-randomized clinical trial, International journal of antimicrobial agents
Gimenez, Evaluation of blockbuster drugs under the rule-of-five, Pharmazie
Gonzalez-Paz, Theoretical molecular docking study of the structural disruption of the viral 3CL-protease of COVID19 induced by binding of capsaicin, piperine and curcumin part 1: A comparative study with chloroquine and hydrochloroquine two antimalaric drugs
Grosdidier, Zoete, Michielin, Fast docking using the CHARMM force field with EADock DSS, Journal of computational chemistry
Grosdidier, Zoete, Michielin, SwissDock, a protein-small molecule docking web service based on EADock DSS, Nucleic acids research
Guy, Identification of critical active-site residues in angiotensin-converting enzyme-2 (ACE2) by site-directed mutagenesis, The FEBS journal
Haberthür, Caflisch, FACTS: Fast analytical continuum treatment of solvation, Journal of computational chemistry
Harcourt, Identification of severe acute respiratory syndrome coronavirus replicase products and characterization of papain-like protease activity, J Virol
Harris, Bagozzi, WHO discontinues hydroxychloroquine and lopinavir/ritonavir treatment arms for COVID-19
Higuchi, Engineered ACE2 receptor therapy overcomes mutational escape of SARS-CoV-2, Nat Commun
Holland, Dietary flavonols and risk of Alzheimer dementia, Neurology
Holmes, The origins of SARS-CoV-2: A critical review, Cell
Izaguirre, Langevin stabilization of molecular dynamics, The Journal of chemical physics
Jakalian, Jack, Bayly, Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation, Journal of computational chemistry
Jin, Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors, Nature
Kumari, Identification of the Potent Inhibitors for a Coronavirus Protease-an In-Silico Approach, International Research Journal of Engineering and Technology
Lee, GPU-accelerated molecular dynamics and free energy methods in Amber18: performance enhancements and new features, Journal of chemical information
Lei, Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features, Antiviral Research
Linares-Blanco, Molecular docking and machine learning analysis of Abemaciclib in colon cancer, BMC Mol Cell Biol
Lipinski, Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings, Adv Drug Deliv Rev
Lucarini, Bio-Based Compounds from Grape Seeds: A Biorefinery Approach, Molecules
Luo, Cajanol, a novel anticancer agent from Pigeonpea [Cajanus cajan (L.) Millsp.] roots, induces apoptosis in human breast cancer cells through a ROS-mediated mitochondrial pathway, Chemico-Biological Interactions
Manu, Kuttan, Effect of punarnavine, an alkaloid from Boerhaavia diffusa, on cell-mediated immune responses and TIMP-1 in B16F-10 metastatic melanoma-bearing mice, Immunopharmacology and Immunotoxicology
Mitra, Dual inhibitors of SARS-CoV-2 proteases: pharmacophore and molecular dynamics based drug repositioning and phytochemical leads, Journal of Biomolecular Structure and Dynamics
Mody, Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents, Communications Biology
Mohs, Greig, Drug discovery and development: Role of basic biological research, Alzheimers Dement
Morris, Automated docking of flexible ligands to receptor-User Guide
Muhammed, Molecular targets for COVID-19 drug development: Enlightening Nigerians about the pandemic and future treatment, Biosafety and Health
Nguyen, Potential, Uses and Future Perspectives of Agricultural Wastes, Recovering Bioactive Compounds from Agricultural Wastes
Ni, Role of angiotensin-converting enzyme 2 (ACE2) in COVID-19, Critical Care
Okoye, Safe African medicinal plants for clinical studies, Toxicological Survey of African Medicinal Plants
Oladele, (Kolaflavanone), apigenin, fisetin as potential Coronavirus inhibitors: In silico investigation
Oladele, A systematic review on COVID-19 pandemic with special emphasis on curative potentials of Nigeria based medicinal plants, Heliyon
Owis, Molecular docking reveals the potential of Salvadora persica flavonoids to inhibit COVID-19 virus main protease, RSC Advances
Owona, Moundipa, In Silico Identification of Apigenin and Narcissin (Food-Flavonoids) as Potential Targets Against SARS-CoV-2 Viral Proteins: Comparison with the Effect of Remdesivir, J Clin Anesth Pain Manag
Pant, Peptide-like and small-molecule inhibitors against Covid-19, J Biomol Struct Dyn
Pearlman, AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules, Computer Physics Communications
Pendyala, Patras, In silico screening of food bioactive compounds to predict potential inhibitors of COVID-19 main protease (Mpro) and RNA-dependent RNA polymerase (RdRp)
Pietta, Flavonoids as Antioxidants, Journal of Natural Products
Pratama, Poerwono, Siswodihardjo, Molecular Docking of Novel 5-Obenzoylpinostrobin Derivatives as SARS-CoV-2 Main Protease Inhibitors, Pharmaceutical Sciences
Puttaswamy, In silico studies evidenced the role of structurally diverse plant secondary metabolites in reducing SARS-CoV-2 pathogenesis, Sci Rep
Raymond, Ibeh 1, Ikechukwu, Favour N. Ujowundu 1 , Ebere O. Eziefuna 1
Raymond, Ibeh 1, Ikechukwu, Favour N. Ujowundu 1 , Ebere O. Eziefuna 1
Roe, Cheatham, PTRAJ and CPPTRAJ: software for processing and analysis of molecular dynamics trajectory data, Journal of chemical theory and computation
Rolta, In silico screening of hundred phytocompounds of ten medicinal plants as potential inhibitors of nucleocapsid phosphoprotein of COVID-19: an approach to prevent virus assembly, Journal of Biomolecular Structure and Dynamics
Ryckaert, Ciccotti, Berendsen, Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes, Journal of Computational Physics
Sahu, Computational study to evaluate the potency of phytochemicals in Boerhavia diffusa and the impact of point mutation on cyclin-dependent kinase 2-associated protein 1, Journal of Biomolecular Structure and Dynamics
Seelinger, Anti-carcinogenic effects of the flavonoid luteolin, Molecules
Shah, Modi, Sagar, In silico studies on therapeutic agents for COVID-19: Drug repurposing approach, Life Sci
Shen, Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures
Siam, Stopping the COVID-19 Pandemic: A Review on the Advances of Diagnosis, Treatment, and Control Measures, J Pathog
Tian, ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution, Journal of Chemical Theory and Computation
Trott, Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading, Journal of computational chemistry
Tutunchi, Naringenin, a flavanone with antiviral and anti-inflammatory effects: A promising treatment strategy against COVID-19, Phytotherapy Research
Ullrich, Nitsche, The SARS-CoV-2 main protease as drug target, Bioorganic & Medicinal Chemistry Letters
Venu, Antiviral efficacy of medicinal plants against respiratory viruses: Respiratory Syncytial Virus (RSV) and Coronavirus (CoV)/COVID 19, J Pharmacol
Wu, A Potential Therapeutic Target for COVID-19, iScience
Wu, Chen, Chan, The outbreak of COVID-19: An overview, Journal of the Chinese medical association
Zoete, Michielin, Comparison between computational alanine scanning and per-residue binding free energy decomposition for protein-protein association using MM-GBSA: Application to the TCR-p-MHC complex, Proteins: Structure, Function, Bioinformatics
Zu, -G, Chemical composition of the SFE-CO2 extracts from Cajanus cajan (L.) Huth and their antimicrobial activity in vitro and in vivo, Phytomedicine
Zuin, Ramin, Green and sustainable separation of natural products from agro-industrial waste: Challenges, potentialities, and perspectives on emerging approaches, Chemistry and Chemical Technologies in Waste Valorization
{ 'indexed': {'date-parts': [[2023, 3, 23]], 'date-time': '2023-03-23T05:04:49Z', 'timestamp': 1679547889829}, 'reference-count': 89, 'publisher': 'Elsevier BV', 'license': [ { 'start': { 'date-parts': [[2023, 3, 1]], 'date-time': '2023-03-01T00:00:00Z', 'timestamp': 1677628800000}, 'content-version': 'tdm', 'delay-in-days': 0, 'URL': 'https://www.elsevier.com/tdm/userlicense/1.0/'}, { 'start': { 'date-parts': [[2023, 3, 20]], 'date-time': '2023-03-20T00:00:00Z', 'timestamp': 1679270400000}, 'content-version': 'vor', 'delay-in-days': 19, 'URL': 'http://creativecommons.org/licenses/by/4.0/'}], 'content-domain': {'domain': ['elsevier.com', 'sciencedirect.com'], 'crossmark-restriction': True}, 'published-print': {'date-parts': [[2023, 3]]}, 'DOI': '10.1016/j.imu.2023.101230', 'type': 'journal-article', 'created': {'date-parts': [[2023, 3, 22]], 'date-time': '2023-03-22T07:52:25Z', 'timestamp': 1679471545000}, 'page': '101230', 'update-policy': 'http://dx.doi.org/10.1016/elsevier_cm_policy', 'source': 'Crossref', 'is-referenced-by-count': 0, 'title': 'Computational studies of potential antiviral compounds from some selected Nigerian medicinal ' 'plants against SARS-CoV-2 proteins', 'prefix': '10.1016', 'author': [ {'given': 'Raymond C.', 'family': 'Ibeh', 'sequence': 'first', 'affiliation': []}, {'given': 'Gavin C.', 'family': 'Ikechukwu', 'sequence': 'additional', 'affiliation': []}, {'given': 'Chinonyerem J.', 'family': 'Ukweni', 'sequence': 'additional', 'affiliation': []}, {'given': 'Israel C.', 'family': 'Omekara', 'sequence': 'additional', 'affiliation': []}, {'given': 'Amanda U.', 'family': 'Ezirim', 'sequence': 'additional', 'affiliation': []}, {'given': 'Favour N.', 'family': 'Ujowundu', 'sequence': 'additional', 'affiliation': []}, { 'ORCID': 'http://orcid.org/0000-0001-6276-2850', 'authenticated-orcid': False, 'given': 'Ebere O.', 'family': 'Eziefuna', 'sequence': 'additional', 'affiliation': []}, {'given': 'Callistus I.', 'family': 'Iheme', 'sequence': 'additional', 'affiliation': []}, {'given': 'Sunday O.', 'family': 'Oyedemi', 'sequence': 'additional', 'affiliation': []}, {'given': 'Hezekiel M.', 'family': 'Kumalo', 'sequence': 'additional', 'affiliation': []}, {'given': 'Umar', 'family': 'Ndagi', 'sequence': 'additional', 'affiliation': []}, { 'ORCID': 'http://orcid.org/0000-0002-6751-3420', 'authenticated-orcid': False, 'given': 'Monsurat M.', 'family': 'Lawal', 'sequence': 'additional', 'affiliation': []}], 'member': '78', 'reference': [ { 'issue': '19', 'key': '10.1016/j.imu.2023.101230_bib1', 'doi-asserted-by': 'crossref', 'first-page': '4848', 'DOI': '10.1016/j.cell.2021.08.017', 'article-title': 'The origins of SARS-CoV-2: a critical review', 'volume': '184', 'author': 'Holmes', 'year': '2021', 'journal-title': 'Cell'}, { 'issue': '3', 'key': '10.1016/j.imu.2023.101230_bib2', 'doi-asserted-by': 'crossref', 'first-page': '217', 'DOI': '10.1097/JCMA.0000000000000270', 'article-title': 'The outbreak of COVID-19: an overview', 'volume': '83', 'author': 'Wu', 'year': '2020', 'journal-title': 'J Chin Med Assoc'}, { 'issue': '8', 'key': '10.1016/j.imu.2023.101230_bib3', 'doi-asserted-by': 'crossref', 'first-page': '2904', 'DOI': '10.1080/07391102.2020.1757510', 'article-title': 'Peptide-like and small-molecule inhibitors against Covid-19', 'volume': '39', 'author': 'Pant', 'year': '2021', 'journal-title': 'J Biomol Struct Dyn'}, { 'issue': '10', 'key': '10.1016/j.imu.2023.101230_bib4', 'doi-asserted-by': 'crossref', 'DOI': '10.1016/j.isci.2020.101642', 'article-title': 'Furin: a potential therapeutic target for COVID-19', 'volume': '23', 'author': 'Wu', 'year': '2020', 'journal-title': 'iScience'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib5', 'doi-asserted-by': 'crossref', 'DOI': '10.1038/s41598-020-77602-0', 'article-title': 'In silico studies evidenced the role of structurally diverse plant ' 'secondary metabolites in reducing SARS-CoV-2 pathogenesis', 'volume': '10', 'author': 'Puttaswamy', 'year': '2020', 'journal-title': 'Sci Rep'}, { 'key': '10.1016/j.imu.2023.101230_bib6', 'doi-asserted-by': 'crossref', 'DOI': '10.1155/2020/9121429', 'article-title': 'Stopping the COVID-19 pandemic: a review on the advances of diagnosis, ' 'treatment, and control measures', 'volume': '2020', 'author': 'Siam', 'year': '2020', 'journal-title': 'J Pathog'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib7', 'doi-asserted-by': 'crossref', 'DOI': '10.1016/j.ijantimicag.2020.105949', 'article-title': 'Hydroxychloroquine and azithromycin as a treatment of COVID-19: results ' 'of an open-label non-randomized clinical trial', 'volume': '56', 'author': 'Gautret', 'year': '2020', 'journal-title': 'Int J Antimicrob Agents'}, { 'key': '10.1016/j.imu.2023.101230_bib8', 'series-title': 'WHO discontinues hydroxychloroquine and lopinavir/ritonavir treatment ' 'arms for COVID-19', 'author': 'Harris', 'year': '2020'}, { 'issue': '4', 'key': '10.1016/j.imu.2023.101230_bib9', 'doi-asserted-by': 'crossref', 'first-page': '651', 'DOI': '10.1016/j.trci.2017.10.005', 'article-title': 'Drug discovery and development: role of basic biological research', 'volume': '3', 'author': 'Mohs', 'year': '2017', 'journal-title': 'Alzheimers Dement (N Y)'}, { 'key': '10.1016/j.imu.2023.101230_bib10', 'doi-asserted-by': 'crossref', 'DOI': '10.1016/j.lfs.2020.117652', 'article-title': 'In silico studies on therapeutic agents for COVID-19: drug repurposing ' 'approach', 'volume': '252', 'author': 'Shah', 'year': '2020', 'journal-title': 'Life Sci'}, { 'key': '10.1016/j.imu.2023.101230_bib11', 'series-title': 'Toxicological survey of African medicinal plants', 'first-page': '535', 'article-title': 'Safe African medicinal plants for clinical studies', 'author': 'Okoye', 'year': '2014'}, { 'issue': '6', 'key': '10.1016/j.imu.2023.101230_bib12', 'doi-asserted-by': 'crossref', 'first-page': '1346', 'DOI': '10.1111/j.1365-2672.2005.02732.x', 'article-title': 'In vitro pharmacodynamic evaluation of antiviral medicinal plants using ' 'a vector‐based assay technique', 'volume': '99', 'author': 'Esimone', 'year': '2005', 'journal-title': 'J Appl Microbiol'}, { 'issue': '18', 'key': '10.1016/j.imu.2023.101230_bib13', 'doi-asserted-by': 'crossref', 'first-page': '1677', 'DOI': '10.1056/NEJMp2003762', 'article-title': 'Responding to covid-19 - a once-in-a-century pandemic?', 'volume': '382', 'author': 'Gates', 'year': '2020', 'journal-title': 'N Engl J Med'}, { 'issue': '7', 'key': '10.1016/j.imu.2023.101230_bib14', 'doi-asserted-by': 'crossref', 'first-page': '527', 'DOI': '10.1007/s11655-020-3476-x', 'article-title': 'In silico screening of potential Chinese herbal medicine against ' 'COVID-19 by targeting SARS-CoV-2 3CLpro and angiotensin converting ' 'enzyme II using molecular docking', 'volume': '26', 'author': 'Gao', 'year': '2020', 'journal-title': 'Chin J Integr Med'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib15', 'doi-asserted-by': 'crossref', 'first-page': '52', 'DOI': '10.1186/s12860-020-00295-w', 'article-title': 'Molecular docking and machine learning analysis of Abemaciclib in colon ' 'cancer', 'volume': '21', 'author': 'Linares-Blanco', 'year': '2020', 'journal-title': 'BMC Mol Cell Biol'}, { 'issue': '4', 'key': '10.1016/j.imu.2023.101230_bib16', 'doi-asserted-by': 'crossref', 'first-page': '210', 'DOI': '10.1016/j.bsheal.2020.07.002', 'article-title': 'Molecular targets for COVID-19 drug development: enlightening Nigerians ' 'about the pandemic and future treatment', 'volume': '2', 'author': 'Muhammed', 'year': '2020', 'journal-title': 'Biosaf Health'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib17', 'doi-asserted-by': 'crossref', 'first-page': '93', 'DOI': '10.1038/s42003-020-01577-x', 'article-title': 'Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as ' 'potential anti-SARS-CoV-2 agents', 'volume': '4', 'author': 'Mody', 'year': '2021', 'journal-title': 'Commun Biol'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib18', 'doi-asserted-by': 'crossref', 'first-page': '422', 'DOI': '10.1186/s13054-020-03120-0', 'article-title': 'Role of angiotensin-converting enzyme 2 (ACE2) in COVID-19', 'volume': '24', 'author': 'Ni', 'year': '2020', 'journal-title': 'Crit Care'}, { 'issue': '24', 'key': '10.1016/j.imu.2023.101230_bib19', 'doi-asserted-by': 'crossref', 'first-page': '13600', 'DOI': '10.1128/JVI.78.24.13600-13612.2004', 'article-title': 'Identification of severe acute respiratory syndrome coronavirus ' 'replicase products and characterization of papain-like protease ' 'activity', 'volume': '78', 'author': 'Harcourt', 'year': '2004', 'journal-title': 'J Virol'}, { 'key': '10.1016/j.imu.2023.101230_bib20', 'doi-asserted-by': 'crossref', 'article-title': 'The subgroup of 2’-hydroxy-flavonoids: molecular diversity, mechanism ' 'of action, and anticancer properties', 'author': 'Bailly', 'year': '2021', 'journal-title': 'Bioorg Med Chem', 'DOI': '10.1016/j.bmc.2021.116001'}, { 'issue': '4', 'key': '10.1016/j.imu.2023.101230_bib21', 'doi-asserted-by': 'crossref', 'first-page': '363', 'DOI': '10.1016/j.bj.2020.05.002', 'article-title': 'Computation screening of narcissoside a glycosyloxyflavone for ' 'potential novel coronavirus 2019 (COVID-19) inhibitor', 'volume': '43', 'author': 'Dubey', 'year': '2020', 'journal-title': 'Biomed J'}, { 'key': '10.1016/j.imu.2023.101230_bib22', 'series-title': 'Kolaviron (Kolaflavanone), apigenin, fisetin as potential Coronavirus ' 'inhibitors: in silico investigation', 'author': 'Oladele', 'year': '2020'}, { 'key': '10.1016/j.imu.2023.101230_bib23', 'series-title': 'Theoretical molecular docking study of the structural disruption of the ' 'viral 3CL-protease of COVID19 induced by binding of capsaicin, piperine ' 'and curcumin part 1: a comparative study with chloroquine and ' 'hydrochloroquine two antimalaric drugs', 'author': 'Gonzalez-Paz', 'year': '2020'}, { 'key': '10.1016/j.imu.2023.101230_bib24', 'first-page': '1', 'article-title': 'In silico screening of hundred phytocompounds of ten medicinal plants ' 'as potential inhibitors of nucleocapsid phosphoprotein of COVID-19: an ' 'approach to prevent virus assembly', 'author': 'Rolta', 'year': '2020', 'journal-title': 'J Biomol Struct Dyn'}, { 'key': '10.1016/j.imu.2023.101230_bib25', 'doi-asserted-by': 'crossref', 'DOI': '10.1016/j.mehy.2020.109841', 'article-title': 'Bioactive compounds with possible inhibitory activity of ' 'Angiotensin-Converting Enzyme-II; a gate to manage and prevent COVID-19', 'volume': '143', 'author': 'Dabaghian', 'year': '2020', 'journal-title': 'Med Hypotheses'}, { 'key': '10.1016/j.imu.2023.101230_bib26', 'series-title': 'In silico screening of food bioactive compounds to predict potential ' 'inhibitors of COVID-19 main protease (Mpro) and RNA-dependent RNA ' 'polymerase', 'author': 'Pendyala', 'year': '2020'}, { 'issue': '3', 'key': '10.1016/j.imu.2023.101230_bib27', 'doi-asserted-by': 'crossref', 'first-page': '1230', 'DOI': '10.1002/ptr.6887', 'article-title': 'A role for quercetin in coronavirus disease 2019 (COVID‐19)', 'volume': '35', 'author': 'Derosa', 'year': '2021', 'journal-title': 'Phytother Res'}, { 'key': '10.1016/j.imu.2023.101230_bib28', 'doi-asserted-by': 'crossref', 'article-title': 'Quercetin and its relative therapeutic potential against COVID-19: a ' 'retrospective review and prospective overview', 'author': 'Bastaminejad', 'year': '2021', 'journal-title': 'Curr Mol Med', 'DOI': '10.2174/18755666MTEwoMDkm0'}, { 'issue': '12', 'key': '10.1016/j.imu.2023.101230_bib29', 'article-title': 'Quercetin: antiviral significance and possible COVID-19 integrative ' 'considerations', 'volume': '15', 'author': 'Agrawal', 'year': '2020', 'journal-title': 'Nat Prod Commun'}, { 'issue': '4', 'key': '10.1016/j.imu.2023.101230_bib30', 'doi-asserted-by': 'crossref', 'first-page': '247', 'DOI': '10.1016/j.aimed.2020.07.007', 'article-title': 'The effect of quercetin on the prevention or treatment of COVID-19 and ' 'other respiratory tract infections in humans: a rapid review', 'volume': '7', 'author': 'Aucoin', 'year': '2020', 'journal-title': 'Adv Integrat Med'}, { 'key': '10.1016/j.imu.2023.101230_bib31', 'first-page': '11', 'article-title': 'Perspective: the potential effects of naringenin in COVID-19', 'author': 'Alberca', 'year': '2020', 'journal-title': 'Front Immunol'}, { 'issue': '12', 'key': '10.1016/j.imu.2023.101230_bib32', 'doi-asserted-by': 'crossref', 'first-page': '3137', 'DOI': '10.1002/ptr.6781', 'article-title': 'Naringenin, a flavanone with antiviral and anti‐inflammatory effects: a ' 'promising treatment strategy against COVID‐19', 'volume': '34', 'author': 'Tutunchi', 'year': '2020', 'journal-title': 'Phytother Res'}, { 'key': '10.1016/j.imu.2023.101230_bib33', 'article-title': 'Naringenin is a powerful inhibitor of SARS-CoV-2 infection in vitro', 'author': 'Clementi', 'year': '2020', 'journal-title': 'Pharmacol Res'}, { 'key': '10.1016/j.imu.2023.101230_bib34', 'doi-asserted-by': 'crossref', 'first-page': '970', 'DOI': '10.3389/fmicb.2020.00970', 'article-title': 'Could the inhibition of endo-lysosomal two-pore channels (TPCs) by the ' 'natural flavonoid naringenin represent an option to fight SARS-CoV-2 ' 'infection?', 'volume': '11', 'author': 'Filippini', 'year': '2020', 'journal-title': 'Front Microbiol'}, { 'key': '10.1016/j.imu.2023.101230_bib35', 'doi-asserted-by': 'crossref', 'DOI': '10.1038/srep42717', 'article-title': 'SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness ' 'and medicinal chemistry friendliness of small molecules', 'volume': '7', 'author': 'Daina', 'year': '2017', 'journal-title': 'Sci Rep'}, { 'issue': '2', 'key': '10.1016/j.imu.2023.101230_bib36', 'first-page': '148', 'article-title': 'Evaluation of blockbuster drugs under the rule-of-five', 'volume': '65', 'author': 'Gimenez', 'year': '2010', 'journal-title': 'Pharmazie'}, { 'issue': '2', 'key': '10.1016/j.imu.2023.101230_bib37', 'first-page': '455', 'article-title': 'AutoDock Vina: improving the speed and accuracy of docking with a new ' 'scoring function, efficient optimization, and multithreading', 'volume': '31', 'author': 'Trott', 'year': '2010', 'journal-title': 'J Comput Chem'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib38', 'doi-asserted-by': 'crossref', 'first-page': '235', 'DOI': '10.1093/nar/28.1.235', 'article-title': 'The protein Data Bank', 'volume': '28', 'author': 'Berman', 'year': '2000', 'journal-title': 'Nucleic Acids Res'}, { 'issue': '7811', 'key': '10.1016/j.imu.2023.101230_bib39', 'doi-asserted-by': 'crossref', 'first-page': '289', 'DOI': '10.1038/s41586-020-2223-y', 'article-title': 'Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors', 'volume': '582', 'author': 'Jin', 'year': '2020', 'journal-title': 'Nature'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib40', 'doi-asserted-by': 'crossref', 'first-page': '3802', 'DOI': '10.1038/s41467-021-24013-y', 'article-title': 'Engineered ACE2 receptor therapy overcomes mutational escape of ' 'SARS-CoV-2', 'volume': '12', 'author': 'Higuchi', 'year': '2021', 'journal-title': 'Nat Commun'}, { 'key': '10.1016/j.imu.2023.101230_bib41', 'series-title': 'Potent, novel SARS-CoV-2 PLpro inhibitors block viral replication in ' 'monkey and human cell cultures', 'author': 'Shen', 'year': '2021'}, { 'key': '10.1016/j.imu.2023.101230_bib42', 'volume': '2016', 'author': 'Biovia', 'year': '2017'}, { 'key': '10.1016/j.imu.2023.101230_bib43', 'series-title': 'AutoDock. Automated docking of flexible ligands to receptor-User Guide', 'author': 'Morris', 'year': '2001'}, { 'issue': 'suppl_2', 'key': '10.1016/j.imu.2023.101230_bib44', 'doi-asserted-by': 'crossref', 'first-page': 'W270', 'DOI': '10.1093/nar/gkr366', 'article-title': 'SwissDock, a protein-small molecule docking web service based on EADock ' 'DSS', 'volume': '39', 'author': 'Grosdidier', 'year': '2011', 'journal-title': 'Nucleic Acids Res'}, { 'issue': '10', 'key': '10.1016/j.imu.2023.101230_bib45', 'doi-asserted-by': 'crossref', 'first-page': '2149', 'DOI': '10.1002/jcc.21797', 'article-title': 'Fast docking using the CHARMM force field with EADock DSS', 'volume': '32', 'author': 'Grosdidier', 'year': '2011', 'journal-title': 'J Comput Chem'}, { 'issue': '5', 'key': '10.1016/j.imu.2023.101230_bib46', 'doi-asserted-by': 'crossref', 'first-page': '701', 'DOI': '10.1002/jcc.20832', 'article-title': 'FACTS: fast analytical continuum treatment of solvation', 'volume': '29', 'author': 'Haberthür', 'year': '2008', 'journal-title': 'J Comput Chem'}, { 'issue': '10', 'key': '10.1016/j.imu.2023.101230_bib47', 'doi-asserted-by': 'crossref', 'first-page': '2043', 'DOI': '10.1021/acs.jcim.8b00462', 'article-title': 'GPU-accelerated molecular dynamics and free energy methods in Amber18: ' 'performance enhancements and new features', 'volume': '58', 'author': 'Lee', 'year': '2018', 'journal-title': 'J Chem Inform'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib48', 'doi-asserted-by': 'crossref', 'first-page': '528', 'DOI': '10.1021/acs.jctc.9b00591', 'article-title': 'ff19SB: amino-acid-specific protein backbone parameters trained against ' 'quantum mechanics energy surfaces in solution', 'volume': '16', 'author': 'Tian', 'year': '2020', 'journal-title': 'J Chem Theor Comput'}, { 'issue': '10', 'key': '10.1016/j.imu.2023.101230_bib49', 'article-title': 'The effect of long-range electrostatic interactions in simulations of ' 'macromolecular crystals–a comparison of the ewald and truncated list ' 'methods', 'volume': '99', 'author': 'Darden', 'year': '1993', 'journal-title': 'J Chem Phys'}, { 'issue': '16', 'key': '10.1016/j.imu.2023.101230_bib50', 'doi-asserted-by': 'crossref', 'first-page': '1623', 'DOI': '10.1002/jcc.10128', 'article-title': 'Fast, efficient generation of high‐quality atomic charges. AM1‐BCC ' 'model: II. Parameterization and validation', 'volume': '23', 'author': 'Jakalian', 'year': '2002', 'journal-title': 'J Comput Chem'}, { 'issue': '5', 'key': '10.1016/j.imu.2023.101230_bib51', 'doi-asserted-by': 'crossref', 'first-page': '2090', 'DOI': '10.1063/1.1332996', 'article-title': 'Langevin stabilization of molecular dynamics', 'volume': '114', 'author': 'Izaguirre', 'year': '2001', 'journal-title': 'J Chem Phys'}, { 'issue': '8', 'key': '10.1016/j.imu.2023.101230_bib52', 'doi-asserted-by': 'crossref', 'first-page': '3684', 'DOI': '10.1063/1.448118', 'article-title': 'Molecular dynamics with coupling to an external bath', 'volume': '81', 'author': 'Berendsen', 'year': '1984', 'journal-title': 'J Chem Phys'}, { 'issue': '3', 'key': '10.1016/j.imu.2023.101230_bib53', 'doi-asserted-by': 'crossref', 'first-page': '327', 'DOI': '10.1016/0021-9991(77)90098-5', 'article-title': 'Numerical integration of the cartesian equations of motion of a system ' 'with constraints: molecular dynamics of n-alkanes', 'volume': '23', 'author': 'Ryckaert', 'year': '1977', 'journal-title': 'J Comput Phys'}, { 'issue': '7', 'key': '10.1016/j.imu.2023.101230_bib54', 'doi-asserted-by': 'crossref', 'first-page': '3084', 'DOI': '10.1021/ct400341p', 'article-title': 'PTRAJ and CPPTRAJ: software for processing and analysis of molecular ' 'dynamics trajectory data', 'volume': '9', 'author': 'Roe', 'year': '2013', 'journal-title': 'J Chem Theor Comput'}, { 'key': '10.1016/j.imu.2023.101230_bib55', 'series-title': 'Tailored modeling of rivastigmine derivatives as dual ' 'acetylcholinesterase and butyrylcholinesterase inhibitors for ' "alzheimer's disease treatment", 'author': 'Adeowo', 'year': '2021'}, { 'key': '10.1016/j.imu.2023.101230_bib56', 'volume': '14', 'author': 'Case', 'year': '2014', 'journal-title': 'Amber'}, { 'issue': '4', 'key': '10.1016/j.imu.2023.101230_bib57', 'doi-asserted-by': 'crossref', 'first-page': '1026', 'DOI': '10.1002/prot.21395', 'article-title': 'Comparison between computational alanine scanning and per‐residue ' 'binding free energy decomposition for protein–protein association using ' 'MM‐GBSA: application to the TCR‐p‐MHC complex', 'volume': '67', 'author': 'Zoete', 'year': '2007', 'journal-title': 'Proteins: Struct, Funct, Bioinf'}, { 'issue': '1–3', 'key': '10.1016/j.imu.2023.101230_bib58', 'doi-asserted-by': 'crossref', 'first-page': '1', 'DOI': '10.1016/0010-4655(95)00041-D', 'article-title': 'AMBER, a package of computer programs for applying molecular mechanics, ' 'normal mode analysis, molecular dynamics and free energy calculations ' 'to simulate the structural and energetic properties of molecules', 'volume': '91', 'author': 'Pearlman', 'year': '1995', 'journal-title': 'Comput Phys Commun'}, { 'issue': '1–3', 'key': '10.1016/j.imu.2023.101230_bib59', 'doi-asserted-by': 'crossref', 'first-page': '3', 'DOI': '10.1016/S0169-409X(00)00129-0', 'article-title': 'Experimental and computational approaches to estimate solubility and ' 'permeability in drug discovery and development settings', 'volume': '46', 'author': 'Lipinski', 'year': '2001', 'journal-title': 'Adv Drug Deliv Rev'}, { 'issue': '16', 'key': '10.1016/j.imu.2023.101230_bib60', 'doi-asserted-by': 'crossref', 'first-page': 'e1749', 'DOI': '10.1212/WNL.0000000000008981', 'article-title': 'Dietary flavonols and risk of Alzheimer dementia', 'volume': '94', 'author': 'Holland', 'year': '2020', 'journal-title': 'Neurology'}, { 'key': '10.1016/j.imu.2023.101230_bib61', 'doi-asserted-by': 'crossref', 'DOI': '10.1016/j.cbi.2019.108734', 'article-title': 'Isorhamnetin glycoside isolated from Opuntia ficus-indica (L.) MilI ' 'induces apoptosis in human colon cancer cells through mitochondrial ' 'damage', 'volume': '310', 'author': 'Antunes-Ricardo', 'year': '2019', 'journal-title': 'Chem Biol Interact'}, { 'issue': '33', 'key': '10.1016/j.imu.2023.101230_bib62', 'doi-asserted-by': 'crossref', 'first-page': '19570', 'DOI': '10.1039/D0RA03582C', 'article-title': 'Molecular docking reveals the potential of Salvadora persica flavonoids ' 'to inhibit COVID-19 virus main protease', 'volume': '10', 'author': 'Owis', 'year': '2020', 'journal-title': 'RSC Adv'}, { 'issue': '17', 'key': '10.1016/j.imu.2023.101230_bib63', 'doi-asserted-by': 'crossref', 'DOI': '10.1016/j.bmcl.2020.127377', 'article-title': 'The SARS-CoV-2 main protease as drug target', 'volume': '30', 'author': 'Ullrich', 'year': '2020', 'journal-title': 'Bioorg Med Chem Lett'}, { 'issue': '5', 'key': '10.1016/j.imu.2023.101230_bib64', 'first-page': '5559', 'article-title': 'Identification of the potent inhibitors for a coronavirus protease- an ' 'in-silico approach', 'volume': '7', 'author': 'Kumari', 'year': '2020', 'journal-title': 'Int Res J Eng Technol'}, { 'issue': '14', 'key': '10.1016/j.imu.2023.101230_bib65', 'doi-asserted-by': 'crossref', 'first-page': '3512', 'DOI': '10.1111/j.1742-4658.2005.04756.x', 'article-title': 'Identification of critical active‐site residues in ' 'angiotensin‐converting enzyme‐2 (ACE2) by site‐directed mutagenesis', 'volume': '272', 'author': 'Guy', 'year': '2005', 'journal-title': 'FEBS J'}, { 'issue': '10', 'key': '10.1016/j.imu.2023.101230_bib66', 'doi-asserted-by': 'crossref', 'first-page': '1754', 'DOI': '10.3390/molecules22101754', 'article-title': 'Emodin inhibition of influenza A virus replication and influenza viral ' 'pneumonia via the Nrf2, TLR4, p38/JNK and NF-kappaB pathways', 'volume': '22', 'author': 'Dai', 'year': '2017', 'journal-title': 'Molecules'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib67', 'first-page': '214', 'article-title': 'In silico identification of apigenin and narcissin (Food-Flavonoids) as ' 'potential targets against SARS-CoV-2 viral proteins: comparison with ' 'the effect of remdesivir', 'volume': '5', 'author': 'Owona Vba', 'year': '2021', 'journal-title': 'J Clin Anesth Pain Manag'}, { 'key': '10.1016/j.imu.2023.101230_bib68', 'doi-asserted-by': 'crossref', 'first-page': '72', 'DOI': '10.1016/j.antiviral.2014.06.011', 'article-title': 'Crystal structure of the papain-like protease of MERS coronavirus ' 'reveals unusual, potentially druggable active-site features', 'volume': '109', 'author': 'Lei', 'year': '2014', 'journal-title': 'Antivir Res'}, { 'issue': '11', 'key': '10.1016/j.imu.2023.101230_bib69', 'article-title': 'Revealing the therapeutic targets and molecular mechanisms of ' 'emodin-treated coronavirus disease 2019 via a systematic study of ' 'network pharmacology', 'volume': '13', 'author': 'Du', 'year': '2021', 'journal-title': 'Aging (Albany NY)'}, { 'issue': '2', 'key': '10.1016/j.imu.2023.101230_bib70', 'doi-asserted-by': 'crossref', 'first-page': '107', 'DOI': '10.2217/fvl-2020-0329', 'article-title': 'Potential anti-COVID-19 activity of Egyptian propolis using ' 'computational modeling', 'volume': '16', 'author': 'H Elwakil', 'year': '2021', 'journal-title': 'Future Virol'}, { 'issue': '8', 'key': '10.1016/j.imu.2023.101230_bib71', 'first-page': '180', 'article-title': 'Medicinal plants and the communication on precautionary use of herbs ' 'during COVID-19 outbreak in Thailand', 'volume': '4', 'author': 'Chaiyasit', 'year': '2021', 'journal-title': 'Bioact Comp Health Dis'}, { 'issue': 'Covid-19', 'key': '10.1016/j.imu.2023.101230_bib72', 'first-page': 'S63', 'article-title': 'Molecular docking of novel 5-O-benzoylpinostrobin derivatives as ' 'SARS-CoV-2 main protease inhibitors', 'volume': '26', 'author': 'Pratama', 'year': '2020', 'journal-title': 'Pharmaceut Sci'}, { 'issue': '14', 'key': '10.1016/j.imu.2023.101230_bib73', 'doi-asserted-by': 'crossref', 'first-page': '1095', 'DOI': '10.1016/j.phymed.2010.04.005', 'article-title': 'Chemical composition of the SFE-CO2 extracts from Cajanus cajan (L.) ' 'Huth and their antimicrobial activity in vitro and in vivo', 'volume': '17', 'author': 'Zu', 'year': '2010', 'journal-title': 'Phytomedicine'}, { 'issue': '4', 'key': '10.1016/j.imu.2023.101230_bib74', 'first-page': '335', 'article-title': 'In vitro study of antibacterial activity of γ-irradiated and ' 'unirradiated leguminous seed coats', 'volume': '1', 'author': 'Chikane', 'year': '2010', 'journal-title': 'Int J Pharm Biol Arch'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib75', 'doi-asserted-by': 'crossref', 'first-page': '151', 'DOI': '10.1016/j.cbi.2010.07.009', 'article-title': 'Cajanol, a novel anticancer agent from Pigeonpea [Cajanus cajan (L.) ' 'Millsp.] roots, induces apoptosis in human breast cancer cells through ' 'a ROS-mediated mitochondrial pathway', 'volume': '188', 'author': 'Luo', 'year': '2010', 'journal-title': 'Chem Biol Interact'}, { 'key': '10.1016/j.imu.2023.101230_bib76', 'first-page': '1', 'article-title': 'Computational study to evaluate the potency of phytochemicals in ' 'Boerhavia diffusa and the impact of point mutation on cyclin-dependent ' 'kinase 2-associated protein 1', 'author': 'Sahu', 'year': '2021', 'journal-title': 'J Biomol Struct Dyn'}, { 'issue': '3–4', 'key': '10.1016/j.imu.2023.101230_bib77', 'doi-asserted-by': 'crossref', 'first-page': '569', 'DOI': '10.1080/08923970701692676', 'article-title': 'Effect of punarnavine, an alkaloid from Boerhaavia diffusa, on ' 'cell-mediated immune responses and TIMP-1 in B16F-10 metastatic ' 'melanoma-bearing mice', 'volume': '29', 'author': 'Manu', 'year': '2007', 'journal-title': 'Immunopharmacol Immunotoxicol'}, { 'issue': '9', 'key': '10.1016/j.imu.2023.101230_bib78', 'doi-asserted-by': 'crossref', 'first-page': '1305', 'DOI': '10.1002/1873-3468.12629', 'article-title': 'A plant-derived dehydrorotenoid: a new inhibitor of hepatitis C virus ' 'entry', 'volume': '591', 'author': 'Bose', 'year': '2017', 'journal-title': 'FEBS Lett'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib79', 'doi-asserted-by': 'crossref', 'first-page': '10', 'DOI': '10.5897/AJPP2020.5170', 'article-title': 'Reflection on medicinal plants, especially antivirals and how to ' 'reconsider ethnobotany as an interesting way for health preservation', 'volume': '15', 'author': 'El Babili', 'year': '2021', 'journal-title': 'Afr J Pharm Pharmacol'}, { 'issue': '9', 'key': '10.1016/j.imu.2023.101230_bib80', 'doi-asserted-by': 'crossref', 'DOI': '10.1016/j.heliyon.2020.e04897', 'article-title': 'A systematic review on COVID-19 pandemic with special emphasis on ' 'curative potentials of Nigeria based medicinal plants', 'volume': '6', 'author': 'Oladele', 'year': '2020', 'journal-title': 'Heliyon'}, { 'issue': '4', 'key': '10.1016/j.imu.2023.101230_bib81', 'first-page': '281', 'article-title': 'Antiviral efficacy of medicinal plants against respiratory viruses: ' 'respiratory Syncytial Virus (RSV) and Coronavirus (CoV)/COVID 19', 'volume': '9', 'author': 'Venu', 'year': '2020', 'journal-title': 'J Pharmacol'}, { 'key': '10.1016/j.imu.2023.101230_bib82', 'first-page': '1', 'article-title': 'Dual inhibitors of SARS-CoV-2 proteases: pharmacophore and molecular ' 'dynamics based drug repositioning and phytochemical leads', 'author': 'Mitra', 'year': '2020', 'journal-title': 'J Biomol Struct Dyn'}, { 'key': '10.1016/j.imu.2023.101230_bib83', 'doi-asserted-by': 'crossref', 'first-page': '21', 'DOI': '10.4137/JEN.S25096', 'article-title': 'Isolation and identification of a flavone apigenin from marine red alga ' 'acanthophora spicifera with antinociceptive and anti-inflammatory ' 'activities', 'volume': '10', 'author': 'El Shoubaky', 'year': '2016', 'journal-title': 'J Exp Neurosci'}, { 'issue': '1', 'key': '10.1016/j.imu.2023.101230_bib84', 'first-page': '45', 'article-title': 'Chlorella and spirulina microalgae as sources of functional foods', 'volume': '6', 'author': 'Andrade', 'year': '2018', 'journal-title': 'Nutraceut Food Suppl'}, { 'key': '10.1016/j.imu.2023.101230_bib85', 'series-title': 'Recovering bioactive compounds from agricultural wastes', 'first-page': '1', 'article-title': 'Potential, uses and future perspectives of agricultural wastes', 'author': 'Nguyen', 'year': '2017'}, { 'issue': '8', 'key': '10.1016/j.imu.2023.101230_bib86', 'doi-asserted-by': 'crossref', 'DOI': '10.3390/molecules23081888', 'article-title': 'Bio-based compounds from grape seeds: a biorefinery approach', 'volume': '23', 'author': 'Lucarini', 'year': '2018', 'journal-title': 'Molecules'}, { 'key': '10.1016/j.imu.2023.101230_bib87', 'first-page': '229', 'article-title': 'Green and sustainable separation of natural products from ' 'agro-industrial waste: challenges, potentialities, and perspectives on ' 'emerging approaches', 'author': 'Zuin', 'year': '2018', 'journal-title': 'Chem Chem Technol Waste Valoriz'}, { 'issue': '7', 'key': '10.1016/j.imu.2023.101230_bib88', 'doi-asserted-by': 'crossref', 'first-page': '1035', 'DOI': '10.1021/np9904509', 'article-title': 'Flavonoids as antioxidants', 'volume': '63', 'author': 'Pietta', 'year': '2000', 'journal-title': 'J Nat Prod'}, { 'issue': '10', 'key': '10.1016/j.imu.2023.101230_bib89', 'doi-asserted-by': 'crossref', 'first-page': '2628', 'DOI': '10.3390/molecules13102628', 'article-title': 'Anti-carcinogenic effects of the flavonoid luteolin', 'volume': '13', 'author': 'Seelinger', 'year': '2008', 'journal-title': 'Molecules'}], 'container-title': 'Informatics in Medicine Unlocked', 'original-title': [], 'language': 'en', 'link': [ { 'URL': 'https://api.elsevier.com/content/article/PII:S2352914823000722?httpAccept=text/xml', 'content-type': 'text/xml', 'content-version': 'vor', 'intended-application': 'text-mining'}, { 'URL': 'https://api.elsevier.com/content/article/PII:S2352914823000722?httpAccept=text/plain', 'content-type': 'text/plain', 'content-version': 'vor', 'intended-application': 'text-mining'}], 'deposited': { 'date-parts': [[2023, 3, 23]], 'date-time': '2023-03-23T02:07:56Z', 'timestamp': 1679537276000}, 'score': 1, 'resource': {'primary': {'URL': 'https://linkinghub.elsevier.com/retrieve/pii/S2352914823000722'}}, 'subtitle': [], 'short-title': [], 'issued': {'date-parts': [[2023, 3]]}, 'references-count': 89, 'alternative-id': ['S2352914823000722'], 'URL': 'http://dx.doi.org/10.1016/j.imu.2023.101230', 'relation': {}, 'ISSN': ['2352-9148'], 'subject': ['Health Informatics'], 'container-title-short': 'Informatics in Medicine Unlocked', 'published': {'date-parts': [[2023, 3]]}, 'assertion': [ {'value': 'Elsevier', 'name': 'publisher', 'label': 'This article is maintained by'}, { 'value': 'Computational studies of potential antiviral compounds from some selected ' 'Nigerian medicinal plants against SARS-CoV-2 proteins', 'name': 'articletitle', 'label': 'Article Title'}, { 'value': 'Informatics in Medicine Unlocked', 'name': 'journaltitle', 'label': 'Journal Title'}, { 'value': 'https://doi.org/10.1016/j.imu.2023.101230', 'name': 'articlelink', 'label': 'CrossRef DOI link to publisher maintained version'}, {'value': 'article', 'name': 'content_type', 'label': 'Content Type'}, { 'value': '© 2023 The Authors. Published by Elsevier Ltd.', 'name': 'copyright', 'label': 'Copyright'}], 'article-number': '101230'}
Loading..
Please send us corrections, updates, or comments. c19early involves the extraction of 100,000+ datapoints from thousands of papers. Community updates help ensure high accuracy. Treatments and other interventions are complementary. All practical, effective, and safe means should be used based on risk/benefit analysis. No treatment or intervention is 100% available and effective for all current and future variants. We do not provide medical advice. Before taking any medication, consult a qualified physician who can provide personalized advice and details of risks and benefits based on your medical history and situation. FLCCC and WCH provide treatment protocols.
  or use drag and drop   
Submit