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

All Studies   Meta Analysis    Recent:   

Targeting COVID-19 (SARS-CoV-2) main protease through phytochemicals of Albizia lebbeck: molecular docking, molecular dynamics simulation, MM–PBSA free energy calculations, and DFT analysis

Nalban et al., Journal of Proteins and Proteomics, doi:10.1007/s42485-024-00136-w
Apr 2024  
  Post
  Facebook
Share
  Source   PDF   All Studies   Meta AnalysisMeta
Quercetin for COVID-19
22nd treatment shown to reduce risk in July 2021
 
*, now known with p = 0.0031 from 11 studies.
No treatment is 100% effective. Protocols combine complementary and synergistic treatments. * >10% efficacy in meta analysis with ≥3 clinical studies.
4,100+ studies for 60+ treatments. c19early.org
In Silico study showing potential benefits of quercetin and other phytochemicals from Albizia lebbeck as SARS-CoV-2 main protease (Mpro) inhibitors. Using molecular docking, the authors identified four promising compounds: vicenin 2, myricetin, quercetin, and albigenic acid. 100ns molecular dynamics simulations demonstrated that these compounds significantly impacted the structure of Mpro, with quercetin showing a higher binding free energy than the positive control drug nelfinavir. Density functional theory studies revealed that vicenin 2 was the most reactive compound. The results suggest that vicenin 2, myricetin, and quercetin may be beneficial for COVID-19 by inhibiting the viral main protease.
In Silico studies predict inhibition of SARS-CoV-2, or minimization of side effects, with quercetin or metabolites via binding to the spike Note A, Alavi, Azmi (B), Chandran, Kandeil, Mandal, Moschovou, Nguyen, Pan, Thapa (B), Şimşek, Mpro Note B, Akinwumi, Alanzi, Ibeh, Kandeil, Mandal, Moschovou, Nguyen, Qin, Rehman, Sekiou (B), Singh, Thapa (B), Wang, Zhang, Shaik, Waqas, Nalban, Irfan, RNA-dependent RNA polymerase Note C, Corbo, PLpro Note D, Ibeh, Zhang, ACE2 Note E, Chandran, Ibeh, Qin, Thapa (B), Şimşek, Alkafaas, TMPRSS2 Note F, Chandran, helicase Note G, Alanzi, Singh (B), endoribonuclease Note H, Alavi, cathepsin L Note I, Ahmed, Wnt-3 Note J, Chandran, FZD Note K, Chandran, LRP6 Note L, Chandran, ezrin Note M, Chellasamy, ADRP Note N, Nguyen, NRP1 Note O, Şimşek, EP300 Note P, Hasanah, PTGS2 Note Q, Qin, HSP90AA1 Note R, Qin, Hasanah, matrix metalloproteinase 9 Note S, Sai Ramesh, IL-6 Note T, Yang, Yang (B), IL-10 Note U, Yang, VEGFA Note V, Yang (B), and RELA Note W, Yang (B) proteins. In Vitro studies demonstrate efficacy in Calu-3 Note X, DiGuilio, A549 Note Y, Yang, HEK293-ACE2+ Note Z, Singh (C), Huh-7 Note AA, Pan, Caco-2 Note AB, Roy, Vero E6 Note AC, Kandeil, El-Megharbel, Roy, mTEC Note AD, Wu, and RAW264.7 Note AE, Wu cells. Animal studies demonstrate efficacy in K18-hACE2 mice Note AF, Aguado, db/db mice Note AG, Wu, Wu (B), BALB/c mice Note AH, Shaker, and rats El-Megharbel (B). Quercetin reduced proinflammatory cytokines and protected lung and kidney tissue against LPS-induced damage in mice Shaker.
Nalban et al., 26 Apr 2024, peer-reviewed, 5 authors.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
This PaperQuercetinAll
{ 'DOI': '10.1007/s42485-024-00136-w', 'ISSN': ['2524-4663'], 'URL': 'http://dx.doi.org/10.1007/s42485-024-00136-w', 'alternative-id': ['136'], 'assertion': [ { 'group': {'label': 'Article History', 'name': 'ArticleHistory'}, 'label': 'Received', 'name': 'received', 'order': 1, 'value': '21 November 2023'}, { 'group': {'label': 'Article History', 'name': 'ArticleHistory'}, 'label': 'Revised', 'name': 'revised', 'order': 2, 'value': '16 January 2024'}, { 'group': {'label': 'Article History', 'name': 'ArticleHistory'}, 'label': 'Accepted', 'name': 'accepted', 'order': 3, 'value': '13 March 2024'}, { 'group': {'label': 'Article History', 'name': 'ArticleHistory'}, 'label': 'First Online', 'name': 'first_online', 'order': 4, 'value': '26 April 2024'}, {'group': {'label': 'Declarations', 'name': 'EthicsHeading'}, 'name': 'Ethics', 'order': 1}, { 'group': {'label': 'Conflict of interest', 'name': 'EthicsHeading'}, 'name': 'Ethics', 'order': 2, 'value': 'Authors declare there are no financial competing interest which can impact the ' 'work in the manuscript.'}], 'author': [ {'affiliation': [], 'family': 'Nalban', 'given': 'Nasiruddin', 'sequence': 'first'}, {'affiliation': [], 'family': 'Wanjari', 'given': 'Manish', 'sequence': 'additional'}, {'affiliation': [], 'family': 'Kolhe', 'given': 'Rasika', 'sequence': 'additional'}, {'affiliation': [], 'family': 'Tamboli', 'given': 'Munaf', 'sequence': 'additional'}, {'affiliation': [], 'family': 'Jamadagni', 'given': 'Pallavi', 'sequence': 'additional'}], 'container-title': 'Journal of Proteins and Proteomics', 'container-title-short': 'J Proteins Proteom', 'content-domain': {'crossmark-restriction': False, 'domain': ['link.springer.com']}, 'created': {'date-parts': [[2024, 4, 26]], 'date-time': '2024-04-26T16:01:45Z', 'timestamp': 1714147305000}, 'deposited': { 'date-parts': [[2024, 4, 26]], 'date-time': '2024-04-26T16:26:33Z', 'timestamp': 1714148793000}, 'indexed': {'date-parts': [[2024, 4, 27]], 'date-time': '2024-04-27T00:25:18Z', 'timestamp': 1714177518526}, 'is-referenced-by-count': 0, 'issued': {'date-parts': [[2024, 4, 26]]}, 'language': 'en', 'license': [ { 'URL': 'https://www.springernature.com/gp/researchers/text-and-data-mining', 'content-version': 'tdm', 'delay-in-days': 0, 'start': { 'date-parts': [[2024, 4, 26]], 'date-time': '2024-04-26T00:00:00Z', 'timestamp': 1714089600000}}, { 'URL': 'https://www.springernature.com/gp/researchers/text-and-data-mining', 'content-version': 'vor', 'delay-in-days': 0, 'start': { 'date-parts': [[2024, 4, 26]], 'date-time': '2024-04-26T00:00:00Z', 'timestamp': 1714089600000}}], 'link': [ { 'URL': 'https://link.springer.com/content/pdf/10.1007/s42485-024-00136-w.pdf', 'content-type': 'application/pdf', 'content-version': 'vor', 'intended-application': 'text-mining'}, { 'URL': 'https://link.springer.com/article/10.1007/s42485-024-00136-w/fulltext.html', 'content-type': 'text/html', 'content-version': 'vor', 'intended-application': 'text-mining'}, { 'URL': 'https://link.springer.com/content/pdf/10.1007/s42485-024-00136-w.pdf', 'content-type': 'application/pdf', 'content-version': 'vor', 'intended-application': 'similarity-checking'}], 'member': '297', 'original-title': [], 'prefix': '10.1007', 'published': {'date-parts': [[2024, 4, 26]]}, 'published-online': {'date-parts': [[2024, 4, 26]]}, 'publisher': 'Springer Science and Business Media LLC', 'reference': [ { 'DOI': '10.1080/07391102.2020.1762741', 'author': 'I Abdelli', 'doi-asserted-by': 'publisher', 'first-page': '3263', 'issue': '9', 'journal-title': 'J Biomol Struct Dyn', 'key': '136_CR1', 'unstructured': 'Abdelli I, Hassani F, Bekkel Brikci S, Ghalem S (2021) In silico study ' 'the inhibition of angiotensin converting enzyme 2 receptor of COVID-19 ' 'by Ammoides verticillata components harvested from Western Algeria. J ' 'Biomol Struct Dyn 39(9):3263–3276. ' 'https://doi.org/10.1080/07391102.2020.1762741', 'volume': '39', 'year': '2021'}, { 'DOI': '10.1016/j.ijbiomac.2020.07.235', 'author': 'O Abian', 'doi-asserted-by': 'publisher', 'first-page': '1693', 'journal-title': 'Int J Biol Macromol', 'key': '136_CR2', 'unstructured': 'Abian O, Ortega-Alarcon D, Jimenez-Alesanco A, Ceballos-Laita L, Vega S, ' 'Reyburn HT, Rizzuti B, Velazquez-Campoy A (2020) Structural stability of ' 'SARS-CoV-2 3CLpro and identification of quercetin as an inhibitor by ' 'experimental screening. Int J Biol Macromol 164:1693–1703. ' 'https://doi.org/10.1016/j.ijbiomac.2020.07.235', 'volume': '164', 'year': '2020'}, { 'DOI': '10.1016/j.compbiomed.2022.105452', 'author': 'Ş Adem', 'doi-asserted-by': 'publisher', 'journal-title': 'Comput Biol Med', 'key': '136_CR3', 'unstructured': 'Adem Ş, Eyupoglu V, Ibrahim IM, Sarfraz I, Rasul A, Ali M, Elfiky AA ' '(2022) Multidimensional in silico strategy for identification of natural ' 'polyphenols-based SARS-CoV-2 main protease (Mpro) inhibitors to unveil a ' 'hope against COVID-19. Comput Biol Med 145:105452. ' 'https://doi.org/10.1016/j.compbiomed.2022.105452', 'volume': '145', 'year': '2022'}, { 'key': '136_CR4', 'unstructured': 'Agnivesh. 2007. Charaka Samhita with ‘Ayurveda-Deepika’ commentary of ' 'Chakrapanidatta. Chowkhamba Sanskrit Sansthana, Varanasi, India. 25/40. ' 'P.n.140'}, { 'DOI': '10.1177/1934578X231166283', 'author': 'PK Agrawal', 'doi-asserted-by': 'publisher', 'first-page': '1934', 'issue': '4', 'journal-title': 'Nat Prod Commun', 'key': '136_CR5', 'unstructured': 'Agrawal PK, Agrawal C, Blunden G (2023) Antiviral and possible ' 'prophylactic significance of myricetin for COVID-19. Nat Prod Commun ' '18(4):1934. https://doi.org/10.1177/1934578X231166283', 'volume': '18', 'year': '2023'}, { 'DOI': '10.33263/BRIAC115.1333313346', 'author': 'S Albayrak', 'doi-asserted-by': 'publisher', 'first-page': '13333', 'issue': '5', 'journal-title': 'Biointerface Res Appl Chem', 'key': '136_CR6', 'unstructured': 'Albayrak S, Gök Y, Sari Y, Tok TT, Aktaş A (2021) Benzimidazolium salts ' 'bearing 2-methyl-1, 4-benzodioxane group: synthesis, characterization, ' 'computational studies, in vitro antioxidant and antimicrobial activity ' 'vitro antioxidant and antimicrobial activity. Biointerface Res Appl Chem ' '11(5):13333–13346. https://doi.org/10.33263/BRIAC115.1333313346', 'volume': '11', 'year': '2021'}, { 'DOI': '10.1016/j.biopha.2022.112658', 'author': 'S Ali', 'doi-asserted-by': 'publisher', 'journal-title': 'Biomed Pharmacother', 'key': '136_CR7', 'unstructured': 'Ali S, Alam M, Khatoon F, Fatima U, Elasbali AM, Adnan M, Islam A, ' 'Hassan MI, Snoussi M, De Feo V (2022) Natural products can be used in ' 'therapeutic management of COVID-19: Probable mechanistic insights. ' 'Biomed Pharmacother 147:112658. ' 'https://doi.org/10.1016/j.biopha.2022.112658', 'volume': '147', 'year': '2022'}, { 'DOI': '10.1016/j.bpj.2014.12.047', 'author': 'R Anandakrishnan', 'doi-asserted-by': 'publisher', 'first-page': '1153', 'issue': '5', 'journal-title': 'Biophys J', 'key': '136_CR8', 'unstructured': 'Anandakrishnan R, Drozdetski A, Walker RC, Onufriev AV (2015) Speed of ' 'conformational change: comparing explicit and implicit solvent molecular ' 'dynamics simulations. Biophys J 108(5):1153–1164. ' 'https://doi.org/10.1016/j.bpj.2014.12.047', 'volume': '108', 'year': '2015'}, { 'DOI': '10.1016/j.jep.2009.02.041', 'author': 'NP Babu', 'doi-asserted-by': 'publisher', 'first-page': '356', 'issue': '2', 'journal-title': 'J Ethnopharmacol', 'key': '136_CR9', 'unstructured': 'Babu NP, Pandikumar P, Ignacimuthu S (2009) Anti-inflammatory activity ' 'of Albizia lebbeck Benth. an ethnomedicinal plant, in acute and chronic ' 'animal models of inflammation. J Ethnopharmacol 125(2):356–360. ' 'https://doi.org/10.1016/j.jep.2009.02.041', 'volume': '125', 'year': '2009'}, { 'DOI': '10.1021/ja0527525', 'author': 'E Barratt', 'doi-asserted-by': 'publisher', 'first-page': '11827', 'issue': '33', 'journal-title': 'J Am Chem Soc', 'key': '136_CR10', 'unstructured': 'Barratt E, Bingham RJ, Warner DJ, Laughton CA, Phillips SE, Homans SW ' '(2005) Van der Waals interactions dominate ligand− protein association ' 'in a protein binding site occluded from solvent water. J Am Chem Soc ' '127(33):11827–11834. https://doi.org/10.1021/ja0527525', 'volume': '127', 'year': '2005'}, { 'DOI': '10.3390/antibiotics11111614', 'author': 'K Bijelić', 'doi-asserted-by': 'publisher', 'first-page': '1614', 'issue': '11', 'journal-title': 'Antibiotics', 'key': '136_CR11', 'unstructured': 'Bijelić K, Hitl M, Kladar N (2022) Phytochemicals in the prevention and ' 'treatment of SARS-CoV-2 clinical evidence. Antibiotics 11(11):1614. ' 'https://doi.org/10.3390/antibiotics11111614', 'volume': '11', 'year': '2022'}, { 'DOI': '10.1371/journal.pone.0248479', 'author': 'S Borse', 'doi-asserted-by': 'publisher', 'issue': '6', 'journal-title': 'PLoS ONE', 'key': '136_CR12', 'unstructured': 'Borse S, Joshi M, Saggam A, Bhat V, Walia S, Marathe A, Sagar S, ' 'Chavan-Gautam P, Girme A, Hingorani L, Tillu G (2021) Ayurveda ' 'botanicals in COVID-19 management: an in silico multi-target approach. ' 'PLoS ONE 16(6):e0248479. https://doi.org/10.1371/journal.pone.0248479', 'volume': '16', 'year': '2021'}, { 'DOI': '10.3390/v14071458', 'author': 'OA Chaves', 'doi-asserted-by': 'publisher', 'first-page': '1458', 'issue': '7', 'journal-title': 'Viruses', 'key': '136_CR13', 'unstructured': 'Chaves OA, Fintelman-Rodrigues N, Wang X, Sacramento CQ, Temerozo JR, ' 'Ferreira AC, Mattos M, Pereira-Dutra F, Bozza PT, Castro-Faria-Neto HC, ' 'Russo JJ (2022) Commercially available flavonols are better SARS-CoV-2 ' 'inhibitors than isoflavone and flavones. Viruses 14(7):1458. ' 'https://doi.org/10.3390/v14071458', 'volume': '14', 'year': '2022'}, { 'DOI': '10.1038/s41579-018-0118-9', 'author': 'J Cui', 'doi-asserted-by': 'publisher', 'first-page': '181', 'issue': '3', 'journal-title': 'Nat Rev Microbiol', 'key': '136_CR14', 'unstructured': 'Cui J, Li F, Shi ZL (2019) Origin and evolution of pathogenic ' 'coronaviruses. Nat Rev Microbiol 17(3):181–192. ' 'https://doi.org/10.1038/s41579-018-0118-9', 'volume': '17', 'year': '2019'}, { 'DOI': '10.1016/j.jep.2018.11.004', 'author': 'TH Desai', 'doi-asserted-by': 'publisher', 'first-page': '494', 'journal-title': 'J Ethnopharmacol', 'key': '136_CR15', 'unstructured': 'Desai TH, Joshi SV (2019) Anticancer activity of saponin isolated from ' 'Albizia lebbeck using various in vitro models. J Ethnopharmacol ' '231:494–502. https://doi.org/10.1016/j.jep.2018.11.004', 'volume': '231', 'year': '2019'}, { 'DOI': '10.2147/IJGM.S318720', 'author': 'F Di Pierro', 'doi-asserted-by': 'publisher', 'journal-title': 'Int J General Med', 'key': '136_CR16', 'unstructured': 'Di Pierro F, Derosa G, Maffioli P, Bertuccioli A, Togni S, Riva A, ' 'Allegrini P, Khan A, Khan S, Khan BA, Altaf N (2021) Possible ' 'therapeutic effects of adjuvant quercetin supplementation against ' 'early-stage COVID-19 infection: a prospective, randomized, controlled, ' 'and open-label study. Int J General Med. ' 'https://doi.org/10.2147/IJGM.S318720', 'year': '2021'}, { 'DOI': '10.1016/j.heliyon.2023.e13952', 'author': 'HV Edwin', 'doi-asserted-by': 'publisher', 'journal-title': 'Heliyon', 'key': '136_CR17', 'unstructured': 'Edwin HV, Antony CS (2023) An update on COVID-19: SARS-CoV-2 variants, ' 'antiviral drugs, and vaccines. Heliyon. ' 'https://doi.org/10.1016/j.heliyon.2023.e13952', 'year': '2023'}, { 'DOI': '10.3390/ph15091049', 'author': 'A Gasmi', 'doi-asserted-by': 'publisher', 'first-page': '1049', 'issue': '9', 'journal-title': 'Pharmaceuticals', 'key': '136_CR18', 'unstructured': 'Gasmi A, Mujawdiya PK, Lysiuk R, Shanaida M, Peana M, Gasmi Benahmed A, ' 'Beley N, Kovalska N, Bjørklund G (2022) Quercetin in the prevention and ' 'treatment of coronavirus infections: a focus on SARS-CoV-2. ' 'Pharmaceuticals 15(9):1049. https://doi.org/10.3390/ph15091049', 'volume': '15', 'year': '2022'}, { 'DOI': '10.5114/bta.2021.108722', 'author': 'S Ghosh', 'doi-asserted-by': 'publisher', 'first-page': '257', 'issue': '3', 'journal-title': 'Biotechnologia', 'key': '136_CR19', 'unstructured': 'Ghosh S, Chetia D, Gogoi N, Rudrapal M (2021) Design, molecular docking, ' 'drug-likeness, and molecular dynamics studies of 1, 2, 4-trioxane ' 'derivatives as novel Plasmodium falciparum falcipain-2 (FP-2) ' 'inhibitors. Biotechnologia 102(3):257. ' 'https://doi.org/10.5114/bta.2021.108722', 'volume': '102', 'year': '2021'}, { 'DOI': '10.1007/s11030-021-10211-9', 'author': 'B Gogoi', 'doi-asserted-by': 'publisher', 'first-page': '1963', 'journal-title': 'Mol Divers', 'key': '136_CR20', 'unstructured': 'Gogoi B, Chowdhury P, Goswami N, Gogoi N, Naiya T, Chetia P, Mahanta S, ' 'Chetia D, Tanti B, Borah P, Handique PJ (2021) Identification of ' 'potential plant-based inhibitor against viral proteases of SARS-CoV-2 ' 'through molecular docking, MM-PBSA binding energy calculations and ' 'molecular dynamics simulation. Mol Divers 25:1963–1977. ' 'https://doi.org/10.1007/s11030-021-10211-9', 'volume': '25', 'year': '2021'}, { 'DOI': '10.1016/B978-0-12-821038-3.00007-0', 'author': 'K Gulati', 'doi-asserted-by': 'publisher', 'first-page': '101', 'key': '136_CR21', 'unstructured': 'Gulati K, Verma P, Rai N, Ray A (2021) Role of nutraceuticals in ' 'respiratory and allied diseases. nutraceuticals. Academic Press, Cham, ' 'pp 101–115. https://doi.org/10.1016/B978-0-12-821038-3.00007-0', 'volume-title': 'nutraceuticals', 'year': '2021'}, { 'DOI': '10.3390/ijms21113922', 'author': 'M Hagar', 'doi-asserted-by': 'publisher', 'first-page': '3922', 'issue': '11', 'journal-title': 'Int J Mol Sci', 'key': '136_CR22', 'unstructured': 'Hagar M, Ahmed HA, Aljohani G, Alhaddad OA (2020) Investigation of some ' 'antiviral N-heterocycles as COVID 19 drug: molecular docking and DFT ' 'calculations. Int J Mol Sci 21(11):3922. ' 'https://doi.org/10.3390/ijms21113922', 'volume': '21', 'year': '2020'}, {'key': '136_CR23', 'unstructured': 'https://www.worldometers.info/coronavirus'}, { 'author': 'M Jaiswal', 'first-page': '67', 'issue': '3', 'journal-title': 'AYU (int Q J Res Ayurveda)', 'key': '136_CR24', 'unstructured': 'Jaiswal M, Prajapati PK, Patgiri BJ, Ravishankar B (2006) A comparative ' 'pharmaco-clinical study on anti-asthmatic effect of Shirisharishta ' 'prepared by bark, sapwood and heartwood of Albizia Lebbeck. AYU (int Q J ' 'Res Ayurveda) 27(3):67', 'volume': '27', 'year': '2006'}, { 'DOI': '10.1002/uog.22088', 'author': 'J Juan', 'doi-asserted-by': 'publisher', 'first-page': '15', 'issue': '1', 'journal-title': 'Ultrasound Obstet Gynecol', 'key': '136_CR25', 'unstructured': 'Juan J, Gil MM, Rong Z, Zhang Y, Yang H, Poon LC (2020) Effect of ' 'coronavirus disease 2019 (COVID-19) on maternal, perinatal and neonatal ' 'outcome: systematic review. Ultrasound Obstet Gynecol 56(1):15–27. ' 'https://doi.org/10.1002/uog.22088', 'volume': '56', 'year': '2020'}, { 'DOI': '10.1016/S2221-1691(12)60251-2', 'author': 'DK Kajaria', 'doi-asserted-by': 'publisher', 'first-page': '905', 'issue': '11', 'journal-title': 'Asian Pac J Trop Biomed', 'key': '136_CR26', 'unstructured': 'Kajaria DK, Gangwar M, Kumar D, Sharma AK, Tilak R, Nath G, Tripathi YB, ' 'Tripathi JS, Tiwari SK (2012) Evaluation of antimicrobial activity and ' 'bronchodialator effect of a polyherbal drug–Shrishadi. Asian Pac J Trop ' 'Biomed 2(11):905–909. https://doi.org/10.1016/S2221-1691(12)60251-2', 'volume': '2', 'year': '2012'}, { 'DOI': '10.1007/s10238-006-0114-7', 'author': 'D Kempuraj', 'doi-asserted-by': 'publisher', 'first-page': '150', 'journal-title': 'Clin Exp Med', 'key': '136_CR27', 'unstructured': 'Kempuraj D, Castellani ML, Petrarca C, Frydas S, Conti P, Theoharides ' 'TC, Vecchiet J (2006) Inhibitory effect of quercetin on tryptase and ' 'interleukin-6 release, and histidine decarboxylase mRNA transcription by ' 'human mast cell-1 cell line. Clin Exp Med 6:150–156. ' 'https://doi.org/10.1007/s10238-006-0114-7', 'volume': '6', 'year': '2006'}, { 'DOI': '10.1038/s41598-017-09941-4', 'author': 'P Khan', 'doi-asserted-by': 'publisher', 'first-page': '9470', 'issue': '1', 'journal-title': 'Sci Rep', 'key': '136_CR28', 'unstructured': 'Khan P, Rahman S, Queen A, Manzoor S, Naz F, Hasan GM, Luqman S, Kim J, ' 'Islam A, Ahmad F, Hassan MI (2017) Elucidation of dietary polyphenolics ' 'as potential inhibitor of microtubule affinity regulating kinase 4: in ' 'silico and in vitro studies. Sci Rep 7(1):9470. ' 'https://doi.org/10.1038/s41598-017-09941-4', 'volume': '7', 'year': '2017'}, { 'author': 'S Kumar', 'first-page': '48', 'issue': '1', 'journal-title': 'Int J Pharm Sci Drug Res', 'key': '136_CR29', 'unstructured': 'Kumar S, Bansal P, Gupta V, Sannd R, Rao M (2010) The clinical effect of ' 'Albizia lebbeck stem bark decoction on bronchial asthma. Int J Pharm Sci ' 'Drug Res 2(1):48–50', 'volume': '2', 'year': '2010'}, { 'DOI': '10.1016/j.apsusc.2020.146028', 'author': 'K Li', 'doi-asserted-by': 'publisher', 'journal-title': 'Appl Surf Sci', 'key': '136_CR30', 'unstructured': 'Li K, Li N, Yan N, Wang T, Zhang Y, Song Q, Li H (2020) Adsorption of ' 'small hydrocarbons on pristine, N-doped and vacancy graphene by DFT ' 'study. Appl Surf Sci 515:146028. ' 'https://doi.org/10.1016/j.apsusc.2020.146028', 'volume': '515', 'year': '2020'}, { 'DOI': '10.1016/j.jpha.2021.09.009', 'author': 'SH Manjunath', 'doi-asserted-by': 'publisher', 'first-page': '29', 'issue': '1', 'journal-title': 'J Pharm Anal', 'key': '136_CR31', 'unstructured': 'Manjunath SH, Thimmulappa RK (2022) Antiviral, immunomodulatory, and ' 'anticoagulant effects of quercetin and its derivatives: Potential role ' 'in prevention and management of COVID-19. J Pharm Anal 12(1):29–34. ' 'https://doi.org/10.1016/j.jpha.2021.09.009', 'volume': '12', 'year': '2022'}, { 'DOI': '10.1039/C4NP00085D', 'author': 'JP Martinez', 'doi-asserted-by': 'publisher', 'first-page': '29', 'issue': '1', 'journal-title': 'Nat Prod Rep', 'key': '136_CR32', 'unstructured': 'Martinez JP, Sasse F, Brönstrup M, Diez J, Meyerhans A (2015) Antiviral ' 'drug discovery: broad-spectrum drugs from nature. Nat Prod Rep ' '32(1):29–48. https://doi.org/10.1039/C4NP00085D', 'volume': '32', 'year': '2015'}, { 'DOI': '10.1080/07391102.2021.1936183', 'author': 'S Mathpal', 'doi-asserted-by': 'publisher', 'first-page': '9885', 'issue': '20', 'journal-title': 'J Biomol Struct Dyn', 'key': '136_CR33', 'unstructured': 'Mathpal S, Sharma P, Joshi T, Joshi T, Pande V, Chandra S (2022) ' 'Screening of potential bio-molecules from Moringa olifera against ' 'SARS-CoV-2 main protease using computational approaches. J Biomol Struct ' 'Dyn 40(20):9885–9896. https://doi.org/10.1080/07391102.2021.1936183', 'volume': '40', 'year': '2022'}, { 'DOI': '10.26717/BJSTR.2022.41.006618', 'author': 'P Mishra', 'doi-asserted-by': 'publisher', 'first-page': '32801', 'issue': '3', 'journal-title': 'Biomed J Sci Tech Res.', 'key': '136_CR34', 'unstructured': 'Mishra P, Shree P, Pandey N, Tripathi YB (2022) Bio actives from Albizia ' 'Lebbeck on acute lung injury-acute respiratory distress syndrome ' 'molecular targets-in-silico study. Biomed J Sci Tech Res. ' '41(3):32801–32807. https://doi.org/10.26717/BJSTR.2022.41.006618', 'volume': '41', 'year': '2022'}, { 'DOI': '10.1038/s42003-020-01577-x', 'author': 'V Mody', 'doi-asserted-by': 'publisher', 'first-page': '93', 'issue': '1', 'journal-title': 'Commun Biol', 'key': '136_CR35', 'unstructured': 'Mody V, Ho J, Wills S, Mawri A, Lawson L, Ebert MC, Fortin GM, Rayalam ' 'S, Taval S (2021) Identification of 3-chymotrypsin like protease ' '(3CLPro) inhibitors as potential anti-SARS-CoV-2 agents. Commun Biol ' '4(1):93. https://doi.org/10.1038/s42003-020-01577-x', 'volume': '4', 'year': '2021'}, { 'DOI': '10.1002/cbic.202000047', 'author': 'JS Morse', 'doi-asserted-by': 'publisher', 'first-page': '730', 'issue': '5', 'journal-title': 'ChemBioChem', 'key': '136_CR36', 'unstructured': 'Morse JS, Lalonde T, Xu S, Liu WR (2020) Learning from the past: ' 'possible urgent prevention and treatment options for severe acute ' 'respiratory infections caused by 2019-nCoV. ChemBioChem 21(5):730–738. ' 'https://doi.org/10.1002/cbic.202000047', 'volume': '21', 'year': '2020'}, { 'DOI': '10.1038/s41586-022-05522-2', 'author': 'W Msemburi', 'doi-asserted-by': 'publisher', 'first-page': '130', 'issue': '7942', 'journal-title': 'Nature', 'key': '136_CR37', 'unstructured': 'Msemburi W, Karlinsky A, Knutson V, Aleshin-Guendel S, Chatterji S, ' 'Wakefield J (2023) The WHO estimates of excess mortality associated with ' 'the COVID-19 pandemic. Nature 613(7942):130–137. ' 'https://doi.org/10.1038/s41586-022-05522-2', 'volume': '613', 'year': '2023'}, { 'DOI': '10.7324/JAPS.2023.130209', 'author': 'V Nishinarizki', 'doi-asserted-by': 'publisher', 'first-page': '078', 'issue': '2', 'journal-title': 'J Appl Pharm Sci', 'key': '136_CR38', 'unstructured': 'Nishinarizki V, Hardianto A, Gaffar S, Muchtaridi M, Herlina T (2023) ' 'Virtual screening campaigns and ADMET evaluation to unlock the potency ' 'of flavonoids from Erythrina as 3CLpro SARS-COV-2 inhibitors. J Appl ' 'Pharm Sci 13(2):078–088. https://doi.org/10.7324/JAPS.2023.130209', 'volume': '13', 'year': '2023'}, { 'DOI': '10.1126/science.abl4784', 'author': 'DR Owen', 'doi-asserted-by': 'publisher', 'first-page': '1586', 'issue': '6575', 'journal-title': 'Science', 'key': '136_CR39', 'unstructured': 'Owen DR, Allerton CM, Anderson AS, Aschenbrenner L, Avery M, Berritt S, ' 'Boras B, Cardin RD, Carlo A, Coffman KJ, Dantonio A (2021) An oral ' 'SARS-CoV-2 Mpro inhibitor clinical candidate for the treatment of ' 'COVID-19. Science 374(6575):1586–1593. ' 'https://doi.org/10.1126/science.abl4784', 'volume': '374', 'year': '2021'}, { 'DOI': '10.1016/j.molstruc.2022.134390', 'author': 'S Padhi', 'doi-asserted-by': 'publisher', 'journal-title': 'J Mol Struct', 'key': '136_CR40', 'unstructured': 'Padhi S, Masi M, Mohanta YK, Saravanan M, Sharma S, Cimmino A, ' 'Shanmugarajan D, Evidente A, Tayung K, Rai AK (2023) In silico ' 'pharmacokinetics, molecular docking and dynamic simulation studies of ' 'endolichenic fungi secondary metabolites: an implication in identifying ' 'novel kinase inhibitors as potential anticancer agents. J Mol Struct ' '1273:134390. https://doi.org/10.1016/j.molstruc.2022.134390', 'volume': '1273', 'year': '2023'}, { 'DOI': '10.1080/07391102.2020.1757510', 'author': 'S Pant', 'doi-asserted-by': 'publisher', 'journal-title': 'J Biomol Struct Dyn', 'key': '136_CR41', 'unstructured': 'Pant S, Singh M, Ravichandiran V, Murty US, Srivastava HK (2020) ' 'Peptide-like and small-molecule inhibitors against Covid-19. J Biomol ' 'Struct Dyn. https://doi.org/10.1080/07391102.2020.1757510', 'year': '2020'}, { 'DOI': '10.1080/07391102.2020.1762741', 'author': 'SK Sinha', 'doi-asserted-by': 'publisher', 'first-page': '3244', 'issue': '9', 'journal-title': 'J Biomol Struct Dyn', 'key': '136_CR42', 'unstructured': 'Sinha SK, Shakya A, Prasad SK, Singh S, Gurav NS, Prasad RS, Gurav SS ' '(2021) An in-silico evaluation of different Saikosaponins for their ' 'potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as ' 'targets. J Biomol Struct Dyn 39(9):3244–3255. ' 'https://doi.org/10.1080/07391102.2020.1762741', 'volume': '39', 'year': '2021'}, { 'DOI': '10.1016/j.crgsc.2021.100202', 'author': 'BM Sivani', 'doi-asserted-by': 'publisher', 'journal-title': 'Curr Res Green Sustain Chem', 'key': '136_CR43', 'unstructured': 'Sivani BM, Venkatesh P, Murthy TK, Kumar SB (2021) In silico screening ' 'of antiviral compounds from Moringa oleifera for inhibition of ' 'SARS-CoV-2 main protease. Curr Res Green Sustain Chem 4:100202. ' 'https://doi.org/10.1016/j.crgsc.2021.100202', 'volume': '4', 'year': '2021'}, { 'DOI': '10.3978/j.issn.2072-1439.2013.06.02', 'author': 'KK To', 'doi-asserted-by': 'publisher', 'first-page': 'S103', 'issue': 'Suppl 2', 'journal-title': 'J Thorac Dis', 'key': '136_CR44', 'unstructured': 'To KK, Hung IF, Chan JF, Yuen KY (2013) From SARS coronavirus to novel ' 'animal and human coronaviruses. J Thorac Dis 5(Suppl 2):S103. ' 'https://doi.org/10.3978/j.issn.2072-1439.2013.06.02', 'volume': '5', 'year': '2013'}, { 'DOI': '10.1002/jcc.21367', 'author': 'K Vanommeslaeghe', 'doi-asserted-by': 'publisher', 'first-page': '671', 'issue': '4', 'journal-title': 'J Comput Chem', 'key': '136_CR45', 'unstructured': 'Vanommeslaeghe K, Hatcher E, Acharya C, Kundu S, Zhong S, Shim J, Darian ' 'E, Guvench O, Lopes P, Vorobyov I, Mackerell AD Jr (2010) CHARMM general ' 'force field: a force field for drug-like molecules compatible with the ' 'CHARMM all-atom additive biological force fields. J Comput Chem ' '31(4):671–690. https://doi.org/10.1002/jcc.21367', 'volume': '31', 'year': '2010'}, { 'DOI': '10.1016/j.crphar.2021.100038', 'author': 'D Verma', 'doi-asserted-by': 'publisher', 'journal-title': 'Curr Res Pharmacol Drug Discov', 'key': '136_CR46', 'unstructured': 'Verma D, Mitra D, Paul M, Chaudhary P, Kamboj A, Thatoi H, Janmeda P, ' 'Jain D, Panneerselvam P, Shrivastav R, Pant K (2021) Potential ' 'inhibitors of SARS-CoV-2 (COVID 19) proteases PLpro and Mpro/3CLpro: ' 'molecular docking and simulation studies of three pertinent medicinal ' 'plant natural components. Curr Res Pharmacol Drug Discov 2:100038. ' 'https://doi.org/10.1016/j.crphar.2021.100038', 'volume': '2', 'year': '2021'}, { 'DOI': '10.13040/IJPSR.0975-8232.5(11).5040-49', 'author': 'M Yim', 'doi-asserted-by': 'publisher', 'first-page': '5042', 'issue': '11', 'journal-title': 'Int J Pharm Sci Res', 'key': '136_CR47', 'unstructured': 'Yim M, Sarma BP, Sinha S, Deka H, Deka H, Parida P, Ghosh A, Johari S ' '(2014) exploring the possible mechanism of Albizzia lebbeck components ' 'binding with drug targets of bronchial asthma–an insilico and clinical ' 'analysis. Int J Pharm Sci Res 5(11):5042–5051. ' 'https://doi.org/10.13040/IJPSR.0975-8232.5(11).5040-49', 'volume': '5', 'year': '2014'}, { 'DOI': '10.1371/journal.pone.0039546', 'author': 'JL Zhang', 'doi-asserted-by': 'publisher', 'issue': '6', 'journal-title': 'PLoS ONE', 'key': '136_CR48', 'unstructured': 'Zhang JL, Zheng QC, Li ZQ, Zhang HX (2012) Molecular dynamics ' 'simulations suggest ligand’s binding to nicotinamidase/pyrazinamidase. ' 'PLoS ONE 7(6):e39546. https://doi.org/10.1371/journal.pone.0039546', 'volume': '7', 'year': '2012'}, { 'DOI': '10.1073/pnas.2117142119', 'author': 'Y Zhao', 'doi-asserted-by': 'publisher', 'issue': '16', 'journal-title': 'Proc Natl Acad Sci', 'key': '136_CR49', 'unstructured': 'Zhao Y, Zhu Y, Liu X, Jin Z, Duan Y, Zhang Q, Wu C, Feng L, Du X, Zhao ' 'J, Shao M (2022) Structural basis for replicase polyprotein cleavage and ' 'substrate specificity of main protease from SARS-CoV-2. Proc Natl Acad ' 'Sci 119(16):e2117142119. https://doi.org/10.1073/pnas.2117142119', 'volume': '119', 'year': '2022'}], 'reference-count': 49, 'references-count': 49, 'relation': {}, 'resource': {'primary': {'URL': 'https://link.springer.com/10.1007/s42485-024-00136-w'}}, 'score': 1, 'short-title': [], 'source': 'Crossref', 'subject': [], 'subtitle': [], 'title': 'Targeting COVID-19 (SARS-CoV-2) main protease through phytochemicals of Albizia lebbeck: ' 'molecular docking, molecular dynamics simulation, MM–PBSA free energy calculations, and DFT ' 'analysis', 'type': 'journal-article', 'update-policy': 'http://dx.doi.org/10.1007/springer_crossmark_policy'}
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