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All Studies   Meta Analysis    Recent:   

Interaction of Epigallocatechin Gallate and Quercetin with Spike Glycoprotein (S-Glycoprotein) of SARS-CoV-2: In Silico Study

Alavi et al., Biomedicines, doi:10.3390/biomedicines10123074
Nov 2022  
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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. * >10% efficacy, ≥3 studies.
4,800+ studies for 98 treatments. c19early.org
In Silico study suggesting efficacy of epigallocatechin gallate and quercetin for SARS-CoV-2.
64 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,4,5,17,19,20,25,33,34,36,37,55,56, MproB,2,4,6,8,10,12,13,15,18,19,25,29,31-33,37,38,40,56,57, RNA-dependent RNA polymeraseC,4,27, PLproD,32,40, ACE2E,17,18,23,32,36,56, TMPRSS2F,17, helicaseG,24,29, endoribonucleaseH,34, cathepsin LI,21, Wnt-3J,17, FZDK,17, LRP6L,17, ezrinM,35, ADRPN,33, NRP1O,36, EP300P,11, PTGS2Q,18, HSP90AA1R,11,18, matrix metalloproteinase 9S,26, IL-6T,16,30, IL-10U,16, VEGFAV,30, and RELAW,30 proteins. In Vitro studies demonstrate inhibition of the MproB,10,45,52 protein, and inhibition of spike-ACE2 interactionX,41. In Vitro studies demonstrate efficacy in Calu-3Y,44, A549Z,16, HEK293-ACE2+AA,51, Huh-7AB,20, Caco-2AC,43, Vero E6AD,14,37,43, mTECAE,46, and RAW264.7AF,46 cells. Animal studies demonstrate efficacy in K18-hACE2 miceAG,48, db/db miceAH,46,54, BALB/c miceAI,53, and rats58. Quercetin reduced proinflammatory cytokines and protected lung and kidney tissue against LPS-induced damage in mice53 and inhibits LPS-induced cytokine storm by modulating key inflammatory and antioxidant pathways in macrophages1.
Alavi et al., 29 Nov 2022, Iran, peer-reviewed, 6 authors. Contact: mehranbio83@gmail.com (corresponding author), dr.m.r.mozafari@gmail.com.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
This PaperQuercetinAll
Interaction of Epigallocatechin Gallate and Quercetin with Spike Glycoprotein (S-Glycoprotein) of SARS-CoV-2: In Silico Study
Mehran Alavi, M R Mozafari, Saba Ghaemi, Morahem Ashengroph, Fatemeh Hasanzadeh Davarani, Mohammadreza Mohammadabadi
Biomedicines, doi:10.3390/biomedicines10123074
Severe acute respiratory syndrome (SARS)-CoV-2 from the family Coronaviridae is the cause of the outbreak of severe pneumonia, known as coronavirus disease 2019 (COVID-19), which was first recognized in 2019. Various potential antiviral drugs have been presented to hinder SARS-CoV-2 or treat COVID-19 disease. Side effects of these drugs are among the main complicated issues for patients. Natural compounds, specifically primary and secondary herbal metabolites, may be considered as alternative options to provide therapeutic activity and reduce cytotoxicity. Phenolic materials such as epigallocatechin gallate (EGCG, polyphenol) and quercetin have shown antibacterial, antifungal, antiviral, anticancer, and anti-inflammatory effects in vitro and in vivo. Therefore, in this study, molecular docking was applied to measure the docking property of epigallocatechin gallate and quercetin towards the transmembrane spike (S) glycoprotein of SARS-CoV-2. Results of the present study showed Vina scores of −9.9 and −8.3 obtained for EGCG and quercetin by CB-Dock. In the case of EGCG, four hydrogen bonds of OG1, OD2, O3, and O13 atoms interacted with the Threonine (THR778) and Aspartic acid (ASP867) amino acids of the spike glycoprotein (6VSB). According to these results, epigallocatechin gallate and quercetin can be considered potent therapeutic compounds for addressing viral diseases.
References
Ahmadi, Ahmadi, Ahmadi, A review on antifungal and antibacterial activities of some medicinal plants, Micro Nano Bio Asp
Ahmadi, Antibacterial and antifungal activities of medicinal plant species and endophytes, Cell. Mol. Biomed. Rep, doi:10.55705/cmbr.2022.340532.1042
Al-Karmalawy, Dahab, Metwaly, Elhady, Elkaeed et al., Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the hACE2 Receptor, Front. Chem, doi:10.3389/fchem.2021.661230
Alavi, Adulrahman, Haleem, Al-Râwanduzi, Khusro et al., Nanoformulations of curcumin and quercetin with silver nanoparticles for inactivation of bacteria, Cell. Mol. Biol, doi:10.14715/cmb/2021.67.5.21
Alavi, Asare-Addo, Nokhodchi, Lectin Protein as a Promising Component to Functionalize Micelles, Liposomes and Lipid NPs against Coronavirus, Biomedicines, doi:10.3390/biomedicines8120580
Alavi, Hamblin, Martinez, Aghaie, Khan et al., Micro and nanoformulations of insulin: New approaches, Nano Micro Bios
Alavi, Hamblin, Martinez, Kennedy, Khan, Synergistic combinations of metal, metal oxide, or metalloid nanoparticles plus antibiotics against resistant and non-resistant bacteria, Micro Nano Bio Asp
Alavi, Hamblin, Mozafari, Rose Alencar De Menezes, Douglas Melo Coutinho, Surface modification of SiO 2 nanoparticles for bacterial decontaminations of blood products, Cell. Mol. Biomed. Rep, doi:10.55705/cmbr.2022.338888.1039
Alavi, Kowalski, Capasso, Douglas Melo Coutinho, Rose Alencar De Menezes, Various novel strategies for functionalization of gold and silver nanoparticles to hinder drug-resistant bacteria and cancer cells, Micro Nano Bio Asp
Alavi, Martinez, Delgado, Tinjacá, Anticancer and antibacterial activities of embelin: Micro and nano aspects, Micro Nano Bio Asp
Alavi, Rai, Antisense RNA, the modified CRISPR-Cas9, and metal/metal oxide nanoparticles to inactivate pathogenic bacteria, Cell. Mol. Biomed. Rep, doi:10.55705/cmbr.2021.142436.1014
Alavi, Rai, Martinez, Kahrizi, Khan et al., The efficiency of metal, metal oxide, and metalloid nanoparticles against cancer cells and bacterial pathogens: Different mechanisms of action, Cell. Mol. Biomed. Rep, doi:10.55705/cmbr.2022.147090.1023
Alavi, Thomas, Sreedharan, Modification of silica nanoparticles for antibacterial activities: Mechanism of action, Micro Nano Bio Asp
Albuquerque, Heleno, Oliveira, Barros, Ferreira, Phenolic compounds: Current industrial applications, limitations and future challenges, Food Funct, doi:10.1039/D0FO02324H
Aljelehawy, Alshaibah, Khafaji, Evaluation of virulence factors among Staphylococcus aureus strains isolated from patients with urinary tract infection in Al-Najaf Al-Ashraf teaching hospital, Cell. Mol. Biomed. Rep
Almasian-Tehrani, Alebouyeh, Armin, Soleimani, Azimi et al., Overview of typing techniques as molecular epidemiology tools for bacterial characterization, Cell. Mol. Biomed. Rep, doi:10.55705/cmbr.2021.143413.1016
Amraei, Ahmadi, Recent studies on antimicrobial and anticancer activities of saponins: A mini-review, Nano Micro Bios
Andijani, Wazzan, The effect of electron-donating substituents on tuning the nonlinear optical properties of pyrene-core arylamine derivatives: DFT calculations, Results Phys, doi:10.1016/j.rinp.2018.10.002
Arévalo, Pagotto, Pórfido, Daghero, Segovia et al., Ivermectin reduces in vivo coronavirus infection in a mouse experimental model, Sci. Rep, doi:10.1038/s41598-021-86679-0
Baral, Mozafari, Strategic Moves of "Superbugs" Against Available Chemical Scaffolds: Signaling, Regulation, and Challenges, ACS Pharmacol. Transl. Sci, doi:10.1021/acsptsci.0c00005
Basu, Sarkar, Maulik, Molecular docking study of potential phytochemicals and their effects on the complex of SARS-CoV2 spike protein and human ACE2, Sci. Rep, doi:10.1038/s41598-020-74715-4
Cao, Li, Improved protein-ligand binding affinity prediction by using a curvature-dependent surface-area model, Bioinformatics, doi:10.1093/bioinformatics/btu104
Casas-Sanchez, Romero-Ramirez, Hargreaves, Ellis, Grajeda et al., Inhibition of Protein N-Glycosylation Blocks SARS-CoV-2 Infection, mBio
Ceccarelli, Alessandri, Oliva, Borrazzo, Dell'isola et al., The role of teicoplanin in the treatment of SARS-CoV-2 infection: A retrospective study in critically ill COVID-19 patients (Tei-COVID study), J. Med. Virol, doi:10.1002/jmv.26925
Chamkhi, Benali, Aanniz, El Menyiy, Guaouguaou et al., Plant-microbial interaction: The mechanism and the application of microbial elicitor induced secondary metabolites biosynthesis in medicinal plants, Plant Physiol. Biochem, doi:10.1016/j.plaphy.2021.08.001
Choudhary, Zehra, Mukarram, Wani, Naeem et al., Potential Uses of Bioactive Compounds of Medicinal Plants and Their Mode of Action in Several Human Diseases
De Maat, Pijl, Kluft, Princen, Consumption of black and green tea had no effect on inflammation, haemostasis and endothelial markers in smoking healthy individuals, Eur. J. Clin. Nutr, doi:10.1038/sj.ejcn.1601084
Du, Zheng, Disoma, Li, Chen et al., Epigallocatechin-3-gallate, an active ingredient of Traditional Chinese Medicines, inhibits the 3CLpro activity of SARS-CoV-2, Int. J. Biol. Macromol
Eberhardt, Santos-Martins, Tillack, Forli, AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings, J. Chem. Inf. Model, doi:10.1021/acs.jcim.1c00203
Eweas, Alhossary, Abdel-Moneim, Molecular Docking Reveals Ivermectin and Remdesivir as Potential Repurposed Drugs Against SARS-CoV-2, Front. Microbiol, doi:10.3389/fmicb.2020.592908
Fischer, Müller, Scheidt, Luck, Drug-Membrane Interactions: Effects of Virus-Specific RNA-Dependent RNA Polymerase Inhibitors Remdesivir and Favipiravir on the Structure of Lipid Bilayers, Biochemistry, doi:10.1021/acs.biochem.2c00042
Gasmi, Mujawdiya, Lysiuk, Shanaida, Peana et al., Quercetin in the Prevention and Treatment of Coronavirus Infections: A Focus on SARS-CoV-2, Pharmaceuticals, doi:10.3390/ph15091049
Golonka, Wilk, Musiał, The Influence of UV Radiation on the Degradation of Pharmaceutical Formulations Containing Quercetin, Molecules, doi:10.3390/molecules25225454
Guedes, Costa, Dos Santos, Karl, Rocha et al., Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants, Sci. Rep, doi:10.1038/s41598-021-84700-0
Han, Ren, Li, Yan, Ma et al., Advances and challenges in the prevention and treatment of COVID-19, Int. J. Med. Sci, doi:10.7150/ijms.47836
Hashemzaei, Delarami Far, Yari, Heravi, Tabrizian et al., Anticancer and apoptosis-inducing effects of quercetin in vitro and in vivo, Oncol. Rep, doi:10.3892/or.2017.5766
Hong, Seo, Woo, Kwon, Song et al., Epigallocatechin Gallate Inhibits the Uridylate-Specific Endoribonuclease Nsp15 and Efficiently Neutralizes the SARS-CoV-2 Strain, J. Agric. Food Chem, doi:10.1021/acs.jafc.1c02050
Isbrucker, Edwards, Wolz, Davidovich, Bausch, Safety studies on epigallocatechin gallate (EGCG) preparations. Part 2: Dermal, acute and short-term toxicity studies, Food Chem. Toxicol, doi:10.1016/j.fct.2005.11.003
Joshi, Parkar, Ansari, Vora, Talwar et al., Role of favipiravir in the treatment of COVID-19, Int. J. Infect. Dis, doi:10.1016/j.ijid.2020.10.069
Kabarkouhi, Mehrarya, Gharehchelou, Jalilian, Jalili et al., Nanoliposome and Allied Technologies in COVID-19 Vaccines: Key Roles and Functionalities, Curr. Drug Deliv, doi:10.2174/1567201819666220427125342
Kawano, Hwang, Influence of Guanidine, Imidazole, and Some Heterocyclic Compounds on Dissolution Rates of Amorphous Silica, Clays Clay Miner, doi:10.1346/CCMN.2010.0580603
Kivrak, Ulaş, Kivrak, A comparative analysis for anti-viral drugs: Their efficiency against SARS-CoV-2, Int. Immunopharmacol, doi:10.1016/j.intimp.2020.107232
Komeno, Furuta, Nakajima, Tani, Morinaga, Analysis of the responsible site for favipiravir resistance in RNA-dependent RNA polymerase of influenza virus A/PR/8/34 (H1N1) using site-directed mutagenesis, Antivir. Res, doi:10.1016/j.antiviral.2022.105387
Kournoutou, Dinos, Azithromycin through the Lens of the COVID-19 Treatment, Antibiotics, doi:10.3390/antibiotics11081063
Liu, Grimm, Dai, Hou, Xiao et al., CB-Dock: A web server for cavity detection-guided protein-ligand blind docking, Acta Pharmacol. Sin, doi:10.1038/s41401-019-0228-6
Lopes, Da Costa, Genova Ribeiro, Da Silva, Lima et al., Quercetin pentaacetate inhibits in vitro human respiratory syncytial virus adhesion, Virus Res, doi:10.1016/j.virusres.2019.197805
Maiti, Banerjee, Epigallocatechin gallate and theaflavin gallate interaction in SARS-CoV-2 spike-protein central channel with reference to the hydroxychloroquine interaction: Bioinformatics and molecular docking study, Drug Dev. Res, doi:10.1002/ddr.21730
Majumder, Taufiqur Rahman, Mahedi Hasan, Didarul Islam, Taylor-Robinson et al., Decoding the enigma of antiviral crisis: Does one target molecule regulate all?, Cytokine, doi:10.1016/j.cyto.2018.12.008
Mettelman, Allen, Thomas, Mucosal immune responses to infection and vaccination in the respiratory tract, Immunity, doi:10.1016/j.immuni.2022.04.013
Mirtaleb, Mirtaleb, Nosrati, Heshmatnia, Falak et al., Potential therapeutic agents to COVID-19: An update review on antiviral therapy, immunotherapy, and cell therapy, Biomed. Pharmacother
Mohammadi, Sabati, When Successive Viral Mutations Prevent Definitive Treatment of COVID-19, Cell. Mol. Biomed. Rep, doi:10.55705/cmbr.2022.339012.1040
Mozafari, Torkaman, Karamouzian, Rasti, Baral, Antimicrobial Applications of Nanoliposome Encapsulated Silver Nanoparticles: A Potential Strategy to Overcome Bacterial Resistance, Curr. Nanosci, doi:10.2174/1573413716999200712184148
Mpiana, Ngbolua, Tshibangu, Kilembe, Gbolo et al., Identification of potential inhibitors of SARS-CoV-2 main protease from Aloe vera compounds: A molecular docking study, Chem. Phys. Lett, doi:10.1016/j.cplett.2020.137751
Muhammad, Abubakar, Muhammad, Genetic resistance to human malaria, Cell. Mol. Biomed. Rep
Muhammad, Sale, Salisu, Muhammad, Abubakar et al., Molecular analysis of Bio-makers of Chloroquine resistance in Plasmodium falciparum Isolate from Gombe Local Government Area, Gombe State, Nigeria, Cell. Mol. Biomed. Rep, doi:10.55705/cmbr.2022.335753.1033
Murad, Alqurashi, Hussien, Interactions of selected cardiovascular active natural compounds with CXCR4 and CXCR7 receptors: A molecular docking, molecular dynamics, and pharmacokinetic/toxicity prediction study, BMC Complement. Med. Ther, doi:10.1186/s12906-021-03488-8
Narendrakumar, Joseph, Thomas, Potential effectiveness and adverse implications of repurposing doxycycline in COVID-19 treatment, Expert Rev. Anti-Infect. Ther, doi:10.1080/14787210.2021.1865803
Nguyen, Woo, Kang, Nguyen, Kim et al., Flavonoid-mediated inhibition of SARS coronavirus 3C-like protease expressed in Pichia pastoris, Biotechnol. Lett, doi:10.1007/s10529-011-0845-8
Ntamo, Jack, Ziqubu, Mazibuko-Mbeje, Nkambule et al., Epigallocatechin gallate as a nutraceutical to potentially target the metabolic syndrome: Novel insights into therapeutic effects beyond its antioxidant and anti-inflammatory properties, Crit. Rev. Food Sci. Nutr, doi:10.1080/10408398.2022.2104805
Pillon, Frazier, Dillard, Williams, Kocaman et al., Cryo-EM Structures of the SARS-CoV-2 Endoribonuclease Nsp15, Biorxiv Prepr. Serv. Biol, doi:10.1101/2020.08.11.244863
Puttaswamy, Gowtham, Ojha, Yadav, Choudhir et al., In silico studies evidenced the role of structurally diverse plant secondary metabolites in reducing SARS-CoV-2 pathogenesis, Sci. Rep, doi:10.1038/s41598-020-77602-0
Quinn, Patel, Koh, Haines, Norrby et al., Automated fitting of transition state force fields for biomolecular simulations, PLoS ONE, doi:10.1371/journal.pone.0264960
Rahbar-Karbasdehi, Rahbar-Karbasdehi, Clinical challenges of stress cardiomyopathy during coronavirus 2019 epidemic, Cell. Mol. Biomed. Rep, doi:10.55705/cmbr.2021.145790.1018
Rahman, Tabrez, Ali, Alqahtani, Ahmed et al., Molecular docking analysis of rutin reveals possible inhibition of SARS-CoV-2 vital proteins, J. Tradit. Complement. Med, doi:10.1016/j.jtcme.2021.01.006
Sabbagh, Kiarostami, Khatir, Rezania, Muhamad et al., Effect of zinc content on structural, functional, morphological, and thermal properties of kappa-carrageenan/NaCMC nanocomposites, Polym. Test, doi:10.1016/j.polymertesting.2020.106922
Sabbagh, Kiarostami, Mahmoudi Khatir, Rezania, Muhamad, Green Synthesis of Mg0.99 Zn0.01O Nanoparticles for the Fabrication of κ-Carrageenan/NaCMC Hydrogel in order to Deliver Catechin, Polymers, doi:10.3390/polym12040861
Salehi, Machin, Monzote, Sharifi-Rad, Ezzat et al., Therapeutic Potential of Quercetin: New Insights and Perspectives for Human Health, ACS Omega, doi:10.1021/acsomega.0c01818
Samy, Attia, Shoman, Khalil, Sugimoto et al., Phytochemical investigation of Amphilophium paniculatum; an underexplored Bignoniaceae species as a source of SARS-CoV-2 Mpro inhibitory metabolites: Isolation, identification, and molecular docking study, S. Afr. J. Bot, doi:10.1016/j.sajb.2021.05.023
Santos, Brierley, Gandhi, Cohen, Moschella et al., Repurposing Therapeutics for Potential Treatment of SARS-CoV-2: A Review, Viruses, doi:10.3390/v12070705
Santos, Grosche, Bergamini, Sabino-Silva, Jardim, Antivirals Against Coronaviruses: Candidate Drugs for SARS-CoV-2 Treatment? Front, Microbiol, doi:10.3389/fmicb.2020.01818
Schmitz, Gilberg, Löser, Bajorath, Bartz et al., Cathepsin B: Active site mapping with peptidic substrates and inhibitors, Biorg. Med. Chem, doi:10.1016/j.bmc.2018.10.017
Shehata, Attia, Rahman, Basiouni, El-Seedi et al., Diversity of Coronaviruses with Particular Attention to the Interspecies Transmission of SARS-CoV-2, Animals, doi:10.3390/ani12030378
Singh, Chapter 11-Molecular modeling studies of fused pyrimidine derivatives at various receptors, doi:10.1016/B978-0-443-18616-5.00010-7
Sun, Gao, Hu, Zhou, Why 90% of clinical drug development fails and how to improve it?, Acta Pharm. Sin. B, doi:10.1016/j.apsb.2022.02.002
Taguchi, Turki, A new advanced in silico drug discovery method for novel coronavirus (SARS-CoV-2) with tensor decomposition-based unsupervised feature extraction, PLoS ONE, doi:10.1371/journal.pone.0238907
Tamimi, Altigani, Sanz, Periodontitis and coronavirus disease 2019, Periodontol, doi:10.1111/prd.12434
Tripathy, Dassarma, Roy, Chabalala, Matsabisa, A review on possible modes of action of chloroquine/hydroxychloroquine: Repurposing against SAR-CoV-2 (COVID-19) pandemic, Int. J. Antimicrob. Agents
Uzunova, Filipova, Pavlova, Vekov, Insights into antiviral mechanisms of remdesivir, lopinavir/ritonavir and chloroquine/hydroxychloroquine affecting the new SARS-CoV-2, Biomed. Pharmacother, doi:10.1016/j.biopha.2020.110668
Verma, Patel, Chandra, Identification of novel inhibitors of SARS-CoV-2 main protease (Mpro) from Withania sp. by molecular docking and molecular dynamics simulation, J. Comput. Chem, doi:10.1002/jcc.26717
Vicenti, Zazzi, Saladini, SARS-CoV-2 RNA-dependent RNA polymerase as a therapeutic target for COVID-19, Expert Opin. Ther. Pat, doi:10.1080/13543776.2021.1880568
Yang, Atkinson, Wang, Lee, Bogoyevitch et al., The broad spectrum antiviral ivermectin targets the host nuclear transport importin α/β1 heterodimer, Antivir. Res, doi:10.1016/j.antiviral.2020.104760
Yang, Guo, Yu, Liu, Song et al., Tocilizumab mimotope alleviates kidney injury and fibrosis by inhibiting IL-6 signaling and ferroptosis in UUO model, Life Sci, doi:10.1016/j.lfs.2020.118487
Yang, Petitjean, Koehler, Zhang, Dumitru et al., Molecular interaction and inhibition of SARS-CoV-2 binding to the ACE2 receptor, Nat. Commun, doi:10.1038/s41467-020-18319-6
Yang, Wei, Fang, Gan, Wang et al., Nanochemoprevention with therapeutic benefits: An updated review focused on epigallocatechin gallate delivery, Crit. Rev. Food Sci. Nutr
Yi, Peng, Wu, Xu, Kuang et al., The Therapeutic Effects and Mechanisms of Quercetin on Metabolic Diseases: Pharmacological Data and Clinical Evidence, Oxid. Med. Cell. Longev, doi:10.1155/2021/6678662
Zhang, Bell, Yin, Zhang, EDock: Blind protein-ligand docking by replica-exchange monte carlo simulation, J. Cheminform, doi:10.1186/s13321-020-00440-9
Zhu, Guo, Geary, Zhang, Emerging Therapeutic Strategies for COVID-19 patients, Discoveries, doi:10.15190/d.2020.2
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Biomed. Rep.'}, { 'key': 'ref_2', 'first-page': '10', 'article-title': 'A review on antifungal and antibacterial activities of some medicinal ' 'plants', 'volume': '1', 'author': 'Ahmadi', 'year': '2022', 'journal-title': 'Micro Nano Bio Asp.'}, { 'key': 'ref_3', 'doi-asserted-by': 'crossref', 'first-page': '52', 'DOI': '10.55705/cmbr.2021.142436.1014', 'article-title': 'Antisense RNA, the modified CRISPR-Cas9, and metal/metal oxide ' 'nanoparticles to inactivate pathogenic bacteria', 'volume': '1', 'author': 'Alavi', 'year': '2021', 'journal-title': 'Cell. Mol. Biomed. Rep.'}, { 'key': 'ref_4', 'first-page': '22', 'article-title': 'Recent studies on antimicrobial and anticancer activities of saponins: ' 'A mini-review', 'volume': '1', 'author': 'Amraei', 'year': '2022', 'journal-title': 'Nano Micro Bios.'}, { 'key': 'ref_5', 'doi-asserted-by': 'crossref', 'first-page': '42', 'DOI': '10.55705/cmbr.2022.335753.1033', 'article-title': 'Molecular analysis of Bio-makers of Chloroquine resistance in ' 'Plasmodium falciparum Isolate from Gombe Local Government Area, Gombe ' 'State, Nigeria', 'volume': '2', 'author': 'Muhammad', 'year': '2022', 'journal-title': 'Cell. Mol. Biomed. Rep.'}, { 'key': 'ref_6', 'doi-asserted-by': 'crossref', 'first-page': '373', 'DOI': '10.1021/acsptsci.0c00005', 'article-title': 'Strategic Moves of “Superbugs” Against Available Chemical Scaffolds: ' 'Signaling, Regulation, and Challenges', 'volume': '3', 'author': 'Baral', 'year': '2020', 'journal-title': 'ACS Pharmacol. Transl. Sci.'}, { 'key': 'ref_7', 'doi-asserted-by': 'crossref', 'first-page': '26', 'DOI': '10.2174/1573413716999200712184148', 'article-title': 'Antimicrobial Applications of Nanoliposome Encapsulated Silver ' 'Nanoparticles: A Potential Strategy to Overcome Bacterial Resistance', 'volume': '17', 'author': 'Mozafari', 'year': '2021', 'journal-title': 'Curr. Nanosci.'}, { 'key': 'ref_8', 'doi-asserted-by': 'crossref', 'first-page': '116', 'DOI': '10.55705/cmbr.2022.342533.1043', 'article-title': 'Genetic resistance to human malaria', 'volume': '2', 'author': 'Muhammad', 'year': '2022', 'journal-title': 'Cell. Mol. Biomed. Rep.'}, { 'key': 'ref_9', 'first-page': '30', 'article-title': 'Anticancer and antibacterial activities of embelin: Micro and nano ' 'aspects', 'volume': '1', 'author': 'Alavi', 'year': '2022', 'journal-title': 'Micro Nano Bio Asp.'}, { 'key': 'ref_10', 'first-page': '1', 'article-title': 'Micro and nanoformulations of insulin: New approaches', 'volume': '1', 'author': 'Alavi', 'year': '2022', 'journal-title': 'Nano Micro Bios.'}, { 'key': 'ref_11', 'doi-asserted-by': 'crossref', 'first-page': '10', 'DOI': '10.55705/cmbr.2022.147090.1023', 'article-title': 'The efficiency of metal, metal oxide, and metalloid nanoparticles ' 'against cancer cells and bacterial pathogens: Different mechanisms of ' 'action', 'volume': '2', 'author': 'Alavi', 'year': '2022', 'journal-title': 'Cell. Mol. Biomed. Rep.'}, { 'key': 'ref_12', 'doi-asserted-by': 'crossref', 'first-page': '69', 'DOI': '10.55705/cmbr.2021.143413.1016', 'article-title': 'Overview of typing techniques as molecular epidemiology tools for ' 'bacterial characterization', 'volume': '1', 'author': 'Alebouyeh', 'year': '2021', 'journal-title': 'Cell. Mol. Biomed. Rep.'}, { 'key': 'ref_13', 'doi-asserted-by': 'crossref', 'first-page': '87', 'DOI': '10.55705/cmbr.2022.338888.1039', 'article-title': 'Surface modification of SiO2 nanoparticles for bacterial ' 'decontaminations of blood products', 'volume': '2', 'author': 'Alavi', 'year': '2022', 'journal-title': 'Cell. Mol. Biomed. Rep.'}, { 'key': 'ref_14', 'first-page': '38', 'article-title': 'Various novel strategies for functionalization of gold and silver ' 'nanoparticles to hinder drug-resistant bacteria and cancer cells', 'volume': '1', 'author': 'Alavi', 'year': '2022', 'journal-title': 'Micro Nano Bio Asp.'}, { 'key': 'ref_15', 'doi-asserted-by': 'crossref', 'first-page': '109', 'DOI': '10.55705/cmbr.2022.340532.1042', 'article-title': 'Antibacterial and antifungal activities of medicinal plant species and ' 'endophytes', 'volume': '2', 'author': 'Ahmadi', 'year': '2022', 'journal-title': 'Cell. Mol. Biomed. Rep.'}, { 'key': 'ref_16', 'first-page': '1', 'article-title': 'Synergistic combinations of metal, metal oxide, or metalloid ' 'nanoparticles plus antibiotics against resistant and non-resistant ' 'bacteria', 'volume': '1', 'author': 'Alavi', 'year': '2022', 'journal-title': 'Micro Nano Bio Asp.'}, { 'key': 'ref_17', 'first-page': '49', 'article-title': 'Modification of silica nanoparticles for antibacterial activities: ' 'Mechanism of action', 'volume': '1', 'author': 'Alavi', 'year': '2022', 'journal-title': 'Micro Nano Bio Asp.'}, { 'key': 'ref_18', 'doi-asserted-by': 'crossref', 'unstructured': 'Sabbagh, F., Kiarostami, K., Mahmoudi Khatir, N., Rezania, S., and ' 'Muhamad, I.I. (2020). Green Synthesis of Mg0.99 Zn0.01O Nanoparticles ' 'for the Fabrication of κ-Carrageenan/NaCMC Hydrogel in order to Deliver ' 'Catechin. Polymers, 12.', 'DOI': '10.3390/polym12040861'}, { 'key': 'ref_19', 'doi-asserted-by': 'crossref', 'first-page': '106922', 'DOI': '10.1016/j.polymertesting.2020.106922', 'article-title': 'Effect of zinc content on structural, functional, morphological, and ' 'thermal properties of kappa-carrageenan/NaCMC nanocomposites', 'volume': '93', 'author': 'Sabbagh', 'year': '2021', 'journal-title': 'Polym. Test.'}, { 'key': 'ref_20', 'doi-asserted-by': 'crossref', 'unstructured': 'Shehata, A.A., Attia, Y.A., Rahman, M.T., Basiouni, S., El-Seedi, H.R., ' 'Azhar, E.I., Khafaga, A.F., and Hafez, H.M. (2022). Diversity of ' 'Coronaviruses with Particular Attention to the Interspecies Transmission ' 'of SARS-CoV-2. Animals, 12.', 'DOI': '10.3390/ani12030378'}, { 'key': 'ref_21', 'doi-asserted-by': 'crossref', 'first-page': '207', 'DOI': '10.1111/prd.12434', 'article-title': 'Periodontitis and coronavirus disease 2019', 'volume': '89', 'author': 'Tamimi', 'year': '2022', 'journal-title': 'Periodontol. 2000'}, { 'key': 'ref_22', 'doi-asserted-by': 'crossref', 'first-page': '98', 'DOI': '10.55705/cmbr.2022.339012.1040', 'article-title': 'When Successive Viral Mutations Prevent Definitive Treatment of ' 'COVID-19', 'volume': '2', 'author': 'Mohammadi', 'year': '2022', 'journal-title': 'Cell. Mol. Biomed. Rep.'}, { 'key': 'ref_23', 'doi-asserted-by': 'crossref', 'first-page': '88', 'DOI': '10.55705/cmbr.2021.145790.1018', 'article-title': 'Clinical challenges of stress cardiomyopathy during coronavirus 2019 ' 'epidemic', 'volume': '1', 'year': '2021', 'journal-title': 'Cell. Mol. Biomed. Rep.'}, { 'key': 'ref_24', 'doi-asserted-by': 'crossref', 'unstructured': 'Alavi, M., Asare-Addo, K., and Nokhodchi, A. (2020). Lectin Protein as a ' 'Promising Component to Functionalize Micelles, Liposomes and Lipid NPs ' 'against Coronavirus. Biomedicines, 8.', 'DOI': '10.3390/biomedicines8120580'}, { 'key': 'ref_25', 'doi-asserted-by': 'crossref', 'first-page': '4541', 'DOI': '10.1038/s41467-020-18319-6', 'article-title': 'Molecular interaction and inhibition of SARS-CoV-2 binding to the ACE2 ' 'receptor', 'volume': '11', 'author': 'Yang', 'year': '2020', 'journal-title': 'Nat. Commun.'}, { 'key': 'ref_26', 'doi-asserted-by': 'crossref', 'first-page': '1818', 'DOI': '10.3389/fmicb.2020.01818', 'article-title': 'Antivirals Against Coronaviruses: Candidate Drugs for SARS-CoV-2 ' 'Treatment?', 'volume': '11', 'author': 'Santos', 'year': '2020', 'journal-title': 'Front. Microbiol.'}, { 'key': 'ref_27', 'doi-asserted-by': 'crossref', 'first-page': 'e03718-21', 'DOI': '10.1128/mbio.03718-21', 'article-title': 'Inhibition of Protein N-Glycosylation Blocks SARS-CoV-2 Infection', 'volume': '13', 'author': 'Hargreaves', 'year': '2022', 'journal-title': 'mBio'}, { 'key': 'ref_28', 'doi-asserted-by': 'crossref', 'unstructured': 'Pillon, M.C., Frazier, M.N., Dillard, L.B., Williams, J.G., Kocaman, S., ' 'Krahn, J.M., Perera, L., Hayne, C.K., Gordon, J., and Stewart, Z.D. ' '(2020). Cryo-EM Structures of the SARS-CoV-2 Endoribonuclease Nsp15. ' 'Biorxiv Prepr. Serv. Biol.', 'DOI': '10.1101/2020.08.11.244863'}, { 'key': 'ref_29', 'first-page': '3', 'article-title': 'Liposome, Nanoliposome and Allied Technologies in COVID-19 Vaccines: ' 'Key Roles and Functionalities', 'volume': '20', 'author': 'Kabarkouhi', 'year': '2022', 'journal-title': 'Curr. Drug Deliv.'}, { 'key': 'ref_30', 'doi-asserted-by': 'crossref', 'first-page': '111518', 'DOI': '10.1016/j.biopha.2021.111518', 'article-title': 'Potential therapeutic agents to COVID-19: An update review on antiviral ' 'therapy, immunotherapy, and cell therapy', 'volume': '138', 'author': 'Mirtaleb', 'year': '2021', 'journal-title': 'Biomed. Pharmacother.'}, { 'key': 'ref_31', 'doi-asserted-by': 'crossref', 'unstructured': 'Taguchi, Y.-H., and Turki, T. (2020). A new advanced in silico drug ' 'discovery method for novel coronavirus (SARS-CoV-2) with tensor ' 'decomposition-based unsupervised feature extraction. PLoS ONE, 15.', 'DOI': '10.20944/preprints202004.0524.v1'}, { 'key': 'ref_32', 'doi-asserted-by': 'crossref', 'unstructured': 'Santos, J., Brierley, S., Gandhi, M.J., Cohen, M.A., Moschella, P.C., ' 'and Declan, A.B.L. (2020). Repurposing Therapeutics for Potential ' 'Treatment of SARS-CoV-2: A Review. Viruses, 12.', 'DOI': '10.3390/v12070705'}, { 'key': 'ref_33', 'doi-asserted-by': 'crossref', 'first-page': '107232', 'DOI': '10.1016/j.intimp.2020.107232', 'article-title': 'A comparative analysis for anti-viral drugs: Their efficiency against ' 'SARS-CoV-2', 'volume': '90', 'author': 'Kivrak', 'year': '2021', 'journal-title': 'Int. Immunopharmacol.'}, { 'key': 'ref_34', 'doi-asserted-by': 'crossref', 'first-page': 'e105', 'DOI': '10.15190/d.2020.2', 'article-title': 'Emerging Therapeutic Strategies for COVID-19 patients', 'volume': '8', 'author': 'Zhu', 'year': '2020', 'journal-title': 'Discoveries'}, { 'key': 'ref_35', 'doi-asserted-by': 'crossref', 'first-page': '501', 'DOI': '10.1016/j.ijid.2020.10.069', 'article-title': 'Role of favipiravir in the treatment of COVID-19', 'volume': '102', 'author': 'Joshi', 'year': '2021', 'journal-title': 'Int. J. Infect. Dis.'}, { 'key': 'ref_36', 'doi-asserted-by': 'crossref', 'first-page': '7132', 'DOI': '10.1038/s41598-021-86679-0', 'article-title': 'Ivermectin reduces in vivo coronavirus infection in a mouse ' 'experimental model', 'volume': '11', 'author': 'Pagotto', 'year': '2021', 'journal-title': 'Sci. Rep.'}, { 'key': 'ref_37', 'doi-asserted-by': 'crossref', 'first-page': '749', 'DOI': '10.1016/j.immuni.2022.04.013', 'article-title': 'Mucosal immune responses to infection and vaccination in the ' 'respiratory tract', 'volume': '55', 'author': 'Mettelman', 'year': '2022', 'journal-title': 'Immunity'}, { 'key': 'ref_38', 'doi-asserted-by': 'crossref', 'first-page': '106028', 'DOI': '10.1016/j.ijantimicag.2020.106028', 'article-title': 'A review on possible modes of action of chloroquine/hydroxychloroquine: ' 'Repurposing against SAR-CoV-2 (COVID-19) pandemic', 'volume': '56', 'author': 'Tripathy', 'year': '2020', 'journal-title': 'Int. J. Antimicrob. Agents'}, { 'key': 'ref_39', 'doi-asserted-by': 'crossref', 'unstructured': 'Kournoutou, G.G., and Dinos, G. (2022). Azithromycin through the Lens of ' 'the COVID-19 Treatment. Antibiotics, 11.', 'DOI': '10.3390/antibiotics11081063'}, { 'key': 'ref_40', 'doi-asserted-by': 'crossref', 'first-page': '110668', 'DOI': '10.1016/j.biopha.2020.110668', 'article-title': 'Insights into antiviral mechanisms of remdesivir, lopinavir/ritonavir ' 'and chloroquine/hydroxychloroquine affecting the new SARS-CoV-2', 'volume': '131', 'author': 'Uzunova', 'year': '2020', 'journal-title': 'Biomed. Pharmacother.'}, { 'key': 'ref_41', 'doi-asserted-by': 'crossref', 'first-page': '325', 'DOI': '10.1080/13543776.2021.1880568', 'article-title': 'SARS-CoV-2 RNA-dependent RNA polymerase as a therapeutic target for ' 'COVID-19', 'volume': '31', 'author': 'Vicenti', 'year': '2021', 'journal-title': 'Expert Opin. Ther. Pat.'}, { 'key': 'ref_42', 'doi-asserted-by': 'crossref', 'first-page': '118487', 'DOI': '10.1016/j.lfs.2020.118487', 'article-title': 'Tocilizumab mimotope alleviates kidney injury and fibrosis by ' 'inhibiting IL-6 signaling and ferroptosis in UUO model', 'volume': '261', 'author': 'Yang', 'year': '2020', 'journal-title': 'Life Sci.'}, { 'key': 'ref_43', 'doi-asserted-by': 'crossref', 'first-page': '1392', 'DOI': '10.1021/acs.biochem.2c00042', 'article-title': 'Drug–Membrane Interactions: Effects of Virus-Specific RNA-Dependent RNA ' 'Polymerase Inhibitors Remdesivir and Favipiravir on the Structure of ' 'Lipid Bilayers', 'volume': '61', 'author': 'Fischer', 'year': '2022', 'journal-title': 'Biochemistry'}, { 'key': 'ref_44', 'doi-asserted-by': 'crossref', 'first-page': '105387', 'DOI': '10.1016/j.antiviral.2022.105387', 'article-title': 'Analysis of the responsible site for favipiravir resistance in ' 'RNA-dependent RNA polymerase of influenza virus A/PR/8/34 (H1N1) using ' 'site-directed mutagenesis', 'volume': '205', 'author': 'Komeno', 'year': '2022', 'journal-title': 'Antivir. Res.'}, { 'key': 'ref_45', 'doi-asserted-by': 'crossref', 'first-page': '1803', 'DOI': '10.7150/ijms.47836', 'article-title': 'Advances and challenges in the prevention and treatment of COVID-19', 'volume': '17', 'author': 'Han', 'year': '2020', 'journal-title': 'Int. J. Med. Sci.'}, { 'key': 'ref_46', 'unstructured': 'Kumar, R., and Vardanyan, R. (2023). Fused Pyrimidine-Based Drug ' 'Discovery, Elsevier.'}, { 'key': 'ref_47', 'doi-asserted-by': 'crossref', 'first-page': '4319', 'DOI': '10.1002/jmv.26925', 'article-title': 'The role of teicoplanin in the treatment of SARS-CoV-2 infection: A ' 'retrospective study in critically ill COVID-19 patients (Tei-COVID ' 'study)', 'volume': '93', 'author': 'Ceccarelli', 'year': '2021', 'journal-title': 'J. Med. Virol.'}, { 'key': 'ref_48', 'doi-asserted-by': 'crossref', 'first-page': '104760', 'DOI': '10.1016/j.antiviral.2020.104760', 'article-title': 'The broad spectrum antiviral ivermectin targets the host nuclear ' 'transport importin α/β1 heterodimer', 'volume': '177', 'author': 'Yang', 'year': '2020', 'journal-title': 'Antivir. Res.'}, { 'key': 'ref_49', 'doi-asserted-by': 'crossref', 'first-page': '13', 'DOI': '10.1016/j.cyto.2018.12.008', 'article-title': 'Decoding the enigma of antiviral crisis: Does one target molecule ' 'regulate all?', 'volume': '115', 'author': 'Majumder', 'year': '2019', 'journal-title': 'Cytokine'}, { 'key': 'ref_50', 'doi-asserted-by': 'crossref', 'first-page': '1001', 'DOI': '10.1080/14787210.2021.1865803', 'article-title': 'Potential effectiveness and adverse implications of repurposing ' 'doxycycline in COVID-19 treatment', 'volume': '19', 'author': 'Narendrakumar', 'year': '2021', 'journal-title': 'Expert Rev. Anti-Infect. Ther.'}, { 'key': 'ref_51', 'doi-asserted-by': 'crossref', 'first-page': '269', 'DOI': '10.1016/j.plaphy.2021.08.001', 'article-title': 'Plant-microbial interaction: The mechanism and the application of ' 'microbial elicitor induced secondary metabolites biosynthesis in ' 'medicinal plants', 'volume': '167', 'author': 'Chamkhi', 'year': '2021', 'journal-title': 'Plant Physiol. Biochem.'}, { 'key': 'ref_52', 'doi-asserted-by': 'crossref', 'unstructured': 'Aftab, T., and Hakeem, K.R. (2021). Medicinal and Aromatic Plants: ' 'Healthcare and Industrial Applications, Springer International ' 'Publishing.', 'DOI': '10.1007/978-3-030-58975-2'}, { 'key': 'ref_53', 'doi-asserted-by': 'crossref', 'first-page': '14', 'DOI': '10.1039/D0FO02324H', 'article-title': 'Phenolic compounds: Current industrial applications, limitations and ' 'future challenges', 'volume': '12', 'author': 'Albuquerque', 'year': '2021', 'journal-title': 'Food Funct.'}, { 'key': 'ref_54', 'doi-asserted-by': 'crossref', 'first-page': '11849', 'DOI': '10.1021/acsomega.0c01818', 'article-title': 'Therapeutic Potential of Quercetin: New Insights and Perspectives for ' 'Human Health', 'volume': '5', 'author': 'Salehi', 'year': '2020', 'journal-title': 'ACS Omega'}, { 'key': 'ref_55', 'doi-asserted-by': 'crossref', 'first-page': '819', 'DOI': '10.3892/or.2017.5766', 'article-title': 'Anticancer and apoptosis-inducing effects of quercetin in vitro and in ' 'vivo', 'volume': '38', 'author': 'Hashemzaei', 'year': '2017', 'journal-title': 'Oncol. Rep.'}, { 'key': 'ref_56', 'doi-asserted-by': 'crossref', 'unstructured': 'Gasmi, A., Mujawdiya, P.K., Lysiuk, R., Shanaida, M., Peana, M., Gasmi ' 'Benahmed, A., Beley, N., Kovalska, N., and Bjørklund, G. (2022). ' 'Quercetin in the Prevention and Treatment of Coronavirus Infections: A ' 'Focus on SARS-CoV-2. Pharmaceuticals, 15.', 'DOI': '10.3390/ph15091049'}, { 'key': 'ref_57', 'doi-asserted-by': 'crossref', 'first-page': '151', 'DOI': '10.14715/cmb/2021.67.5.21', 'article-title': 'Nanoformulations of curcumin and quercetin with silver nanoparticles ' 'for inactivation of bacteria', 'volume': '67', 'author': 'Alavi', 'year': '2022', 'journal-title': 'Cell. Mol. Biol.'}, { 'key': 'ref_58', 'doi-asserted-by': 'crossref', 'first-page': '6678662', 'DOI': '10.1155/2021/6678662', 'article-title': 'The Therapeutic Effects and Mechanisms of Quercetin on Metabolic ' 'Diseases: Pharmacological Data and Clinical Evidence', 'volume': '2021', 'author': 'Yi', 'year': '2021', 'journal-title': 'Oxid. Med. Cell. Longev.'}, { 'key': 'ref_59', 'doi-asserted-by': 'crossref', 'first-page': '86', 'DOI': '10.1002/ddr.21730', 'article-title': 'Epigallocatechin gallate and theaflavin gallate interaction in ' 'SARS-CoV-2 spike-protein central channel with reference to the ' 'hydroxychloroquine interaction: Bioinformatics and molecular docking ' 'study', 'volume': '82', 'author': 'Maiti', 'year': '2021', 'journal-title': 'Drug Dev. Res.'}, { 'key': 'ref_60', 'doi-asserted-by': 'crossref', 'first-page': '636', 'DOI': '10.1016/j.fct.2005.11.003', 'article-title': 'Safety studies on epigallocatechin gallate (EGCG) preparations. Part 2: ' 'Dermal, acute and short-term toxicity studies', 'volume': '44', 'author': 'Isbrucker', 'year': '2006', 'journal-title': 'Food Chem. Toxicol.'}, { 'key': 'ref_61', 'doi-asserted-by': 'crossref', 'first-page': '5948', 'DOI': '10.1021/acs.jafc.1c02050', 'article-title': 'Epigallocatechin Gallate Inhibits the Uridylate-Specific ' 'Endoribonuclease Nsp15 and Efficiently Neutralizes the SARS-CoV-2 ' 'Strain', 'volume': '69', 'author': 'Hong', 'year': '2021', 'journal-title': 'J. Agric. Food Chem.'}, { 'key': 'ref_62', 'doi-asserted-by': 'crossref', 'unstructured': 'Ntamo, Y., Jack, B., Ziqubu, K., Mazibuko-Mbeje, S.E., Nkambule, B.B., ' 'Nyambuya, T.M., Mabhida, S.E., Hanser, S., Orlando, P., and Tiano, L. ' '(2022). Epigallocatechin gallate as a nutraceutical to potentially ' 'target the metabolic syndrome: Novel insights into therapeutic effects ' 'beyond its antioxidant and anti-inflammatory properties. Crit. Rev. Food ' 'Sci. Nutr., 1–23.', 'DOI': '10.1080/10408398.2022.2104805'}, { 'key': 'ref_63', 'doi-asserted-by': 'crossref', 'first-page': '1243', 'DOI': '10.1080/10408398.2019.1565490', 'article-title': 'Nanochemoprevention with therapeutic benefits: An updated review ' 'focused on epigallocatechin gallate delivery', 'volume': '60', 'author': 'Yang', 'year': '2020', 'journal-title': 'Crit. Rev. Food Sci. Nutr.'}, { 'key': 'ref_64', 'doi-asserted-by': 'crossref', 'first-page': '757', 'DOI': '10.1038/sj.ejcn.1601084', 'article-title': 'Consumption of black and green tea had no effect on inflammation, ' 'haemostasis and endothelial markers in smoking healthy individuals', 'volume': '54', 'author': 'Pijl', 'year': '2000', 'journal-title': 'Eur. J. Clin. Nutr.'}, { 'key': 'ref_65', 'doi-asserted-by': 'crossref', 'first-page': '3049', 'DOI': '10.1016/j.apsb.2022.02.002', 'article-title': 'Why 90% of clinical drug development fails and how to improve it?', 'volume': '12', 'author': 'Sun', 'year': '2022', 'journal-title': 'Acta Pharm. Sin. B'}, { 'key': 'ref_66', 'doi-asserted-by': 'crossref', 'unstructured': 'Quinn, T.R., Patel, H.N., Koh, K.H., Haines, B.E., Norrby, P.O., ' 'Helquist, P., and Wiest, O. (2022). Automated fitting of transition ' 'state force fields for biomolecular simulations. PLoS ONE, 17.', 'DOI': '10.1371/journal.pone.0264960'}, { 'key': 'ref_67', 'doi-asserted-by': 'crossref', 'first-page': '1674', 'DOI': '10.1093/bioinformatics/btu104', 'article-title': 'Improved protein-ligand binding affinity prediction by using a ' 'curvature-dependent surface-area model', 'volume': '30', 'author': 'Cao', 'year': '2014', 'journal-title': 'Bioinformatics'}, { 'key': 'ref_68', 'doi-asserted-by': 'crossref', 'first-page': '138', 'DOI': '10.1038/s41401-019-0228-6', 'article-title': 'CB-Dock: A web server for cavity detection-guided protein-ligand blind ' 'docking', 'volume': '41', 'author': 'Liu', 'year': '2020', 'journal-title': 'Acta Pharmacol. Sin.'}, { 'key': 'ref_69', 'doi-asserted-by': 'crossref', 'first-page': '1', 'DOI': '10.1038/s41598-021-84700-0', 'article-title': 'Drug design and repurposing with DockThor-VS web server focusing on ' 'SARS-CoV-2 therapeutic targets and their non-synonym variants', 'volume': '11', 'author': 'Guedes', 'year': '2021', 'journal-title': 'Sci. Rep.'}, { 'key': 'ref_70', 'doi-asserted-by': 'crossref', 'first-page': '37', 'DOI': '10.1186/s13321-020-00440-9', 'article-title': 'EDock: Blind protein–ligand docking by replica-exchange monte carlo ' 'simulation', 'volume': '12', 'author': 'Zhang', 'year': '2020', 'journal-title': 'J. Cheminform.'}, { 'key': 'ref_71', 'doi-asserted-by': 'crossref', 'first-page': '3891', 'DOI': '10.1021/acs.jcim.1c00203', 'article-title': 'AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and ' 'Python Bindings', 'volume': '61', 'author': 'Eberhardt', 'year': '2021', 'journal-title': 'J. Chem. Inf. Model.'}, { 'key': 'ref_72', 'doi-asserted-by': 'crossref', 'first-page': '605', 'DOI': '10.1016/j.rinp.2018.10.002', 'article-title': 'The effect of electron-donating substituents on tuning the nonlinear ' 'optical properties of pyrene-core arylamine derivatives: DFT ' 'calculations', 'volume': '11', 'author': 'Andijani', 'year': '2018', 'journal-title': 'Results Phys.'}, { 'key': 'ref_73', 'doi-asserted-by': 'crossref', 'first-page': '197805', 'DOI': '10.1016/j.virusres.2019.197805', 'article-title': 'Quercetin pentaacetate inhibits in vitro human respiratory syncytial ' 'virus adhesion', 'volume': '276', 'author': 'Lopes', 'year': '2020', 'journal-title': 'Virus Res.'}, { 'key': 'ref_74', 'doi-asserted-by': 'crossref', 'first-page': '1861', 'DOI': '10.1002/jcc.26717', 'article-title': 'Identification of novel inhibitors of SARS-CoV-2 main protease (Mpro) ' 'from Withania sp. by molecular docking and molecular dynamics ' 'simulation', 'volume': '42', 'author': 'Verma', 'year': '2021', 'journal-title': 'J. Comput. Chem.'}, { 'key': 'ref_75', 'doi-asserted-by': 'crossref', 'first-page': '421', 'DOI': '10.1016/j.sajb.2021.05.023', 'article-title': 'Phytochemical investigation of Amphilophium paniculatum; an ' 'underexplored Bignoniaceae species as a source of SARS-CoV-2 Mpro ' 'inhibitory metabolites: Isolation, identification, and molecular ' 'docking study', 'volume': '141', 'author': 'Samy', 'year': '2021', 'journal-title': 'S. Afr. J. Bot.'}, { 'key': 'ref_76', 'doi-asserted-by': 'crossref', 'first-page': '137751', 'DOI': '10.1016/j.cplett.2020.137751', 'article-title': 'Identification of potential inhibitors of SARS-CoV-2 main protease from ' 'Aloe vera compounds: A molecular docking study', 'volume': '754', 'author': 'Mpiana', 'year': '2020', 'journal-title': 'Chem. Phys. Lett.'}, { 'key': 'ref_77', 'doi-asserted-by': 'crossref', 'first-page': '20584', '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': 'ref_78', 'doi-asserted-by': 'crossref', 'first-page': '173', 'DOI': '10.1016/j.jtcme.2021.01.006', 'article-title': 'Molecular docking analysis of rutin reveals possible inhibition of ' 'SARS-CoV-2 vital proteins', 'volume': '11', 'author': 'Rahman', 'year': '2021', 'journal-title': 'J. Tradit. Complement. Med.'}, { 'key': 'ref_79', 'doi-asserted-by': 'crossref', 'first-page': '661230', 'DOI': '10.3389/fchem.2021.661230', 'article-title': 'Molecular Docking and Dynamics Simulation Revealed the Potential ' 'Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the hACE2 ' 'Receptor', 'volume': '9', 'author': 'Dahab', 'year': '2021', 'journal-title': 'Front. Chem.'}, { 'key': 'ref_80', 'doi-asserted-by': 'crossref', 'first-page': '592908', 'DOI': '10.3389/fmicb.2020.592908', 'article-title': 'Molecular Docking Reveals Ivermectin and Remdesivir as Potential ' 'Repurposed Drugs Against SARS-CoV-2', 'volume': '11', 'author': 'Eweas', 'year': '2021', 'journal-title': 'Front. Microbiol.'}, { 'key': 'ref_81', 'doi-asserted-by': 'crossref', 'first-page': '17699', 'DOI': '10.1038/s41598-020-74715-4', 'article-title': 'Molecular docking study of potential phytochemicals and their effects ' 'on the complex of SARS-CoV2 spike protein and human ACE2', 'volume': '10', 'author': 'Basu', 'year': '2020', 'journal-title': 'Sci. Rep.'}, { 'key': 'ref_82', 'doi-asserted-by': 'crossref', 'first-page': '831', 'DOI': '10.1007/s10529-011-0845-8', 'article-title': 'Flavonoid-mediated inhibition of SARS coronavirus 3C-like protease ' 'expressed in Pichia pastoris', 'volume': '34', 'author': 'Nguyen', 'year': '2012', 'journal-title': 'Biotechnol. Lett.'}, { 'key': 'ref_83', 'doi-asserted-by': 'crossref', 'first-page': '1', 'DOI': '10.1016/j.ijbiomac.2021.02.012', 'article-title': 'Epigallocatechin-3-gallate, an active ingredient of Traditional Chinese ' 'Medicines, inhibits the 3CLpro activity of SARS-CoV-2', 'volume': '176', 'author': 'Du', 'year': '2021', 'journal-title': 'Int. J. Biol. Macromol.'}, { 'key': 'ref_84', 'doi-asserted-by': 'crossref', 'unstructured': 'Golonka, I., Wilk, S., and Musiał, W. (2020). The Influence of UV ' 'Radiation on the Degradation of Pharmaceutical Formulations Containing ' 'Quercetin. Molecules, 25.', 'DOI': '10.3390/molecules25225454'}, { 'key': 'ref_85', 'doi-asserted-by': 'crossref', 'first-page': '1', 'DOI': '10.1016/j.bmc.2018.10.017', 'article-title': 'Cathepsin B: Active site mapping with peptidic substrates and ' 'inhibitors', 'volume': '27', 'author': 'Schmitz', 'year': '2019', 'journal-title': 'Biorg. Med. Chem.'}, { 'key': 'ref_86', 'doi-asserted-by': 'crossref', 'first-page': '757', 'DOI': '10.1346/CCMN.2010.0580603', 'article-title': 'Influence of Guanidine, Imidazole, and Some Heterocyclic Compounds on ' 'Dissolution Rates of Amorphous Silica', 'volume': '58', 'author': 'Kawano', 'year': '2010', 'journal-title': 'Clays Clay Miner.'}, { 'key': 'ref_87', 'doi-asserted-by': 'crossref', 'unstructured': 'Murad, H.A.S., Alqurashi, T.M.A., and Hussien, M.A. (2022). Interactions ' 'of selected cardiovascular active natural compounds with CXCR4 and CXCR7 ' 'receptors: A molecular docking, molecular dynamics, and ' 'pharmacokinetic/toxicity prediction study. BMC Complement. Med. Ther., ' '22.', 'DOI': '10.1186/s12906-021-03488-8'}], 'container-title': 'Biomedicines', 'original-title': [], 'language': 'en', 'link': [ { 'URL': 'https://www.mdpi.com/2227-9059/10/12/3074/pdf', 'content-type': 'unspecified', 'content-version': 'vor', 'intended-application': 'similarity-checking'}], 'deposited': { 'date-parts': [[2022, 11, 30]], 'date-time': '2022-11-30T11:28:13Z', 'timestamp': 1669807693000}, 'score': 1, 'resource': {'primary': {'URL': 'https://www.mdpi.com/2227-9059/10/12/3074'}}, 'subtitle': [], 'short-title': [], 'issued': {'date-parts': [[2022, 11, 29]]}, 'references-count': 87, 'journal-issue': {'issue': '12', 'published-online': {'date-parts': [[2022, 12]]}}, 'alternative-id': ['biomedicines10123074'], 'URL': 'http://dx.doi.org/10.3390/biomedicines10123074', 'relation': {}, 'ISSN': ['2227-9059'], 'subject': ['General Biochemistry, Genetics and Molecular Biology', 'Medicine (miscellaneous)'], 'container-title-short': 'Biomedicines', 'published': {'date-parts': [[2022, 11, 29]]}}
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