Grando RL, Oliveira ACD, Fierro IM. The repositioning of drugs as a potential strategy for the treatment of COVID-19. Observatory on Science, Technology and Innovation in Health at the Oswaldo Cruz Foundation. 2020, p.1–9. Available from: http://observatorio.fiocruz.br/estudos/o-reposicionamento-de-farmacos-como-uma-potencial-estrategia-para-o-tratamento-da-covid-19.
Newman DJ, Cragg GM. Natural products as sources of new drugs over the nearly four decades from 01/1981 to 09/2019. J Nat Prod. 2020;83:770–803. https://doi.org/10.1021/acs.jnatprod.9b01285.
Article CAS PubMed Google Scholar
Aviran M, Dornfelt L, Rosenblat M. Pomegranate juice consumption reduces oxidative stress, atherogenic modifications to LDL, and plaquet aggregation: studies in human and in atherosclerotic apolipoprotein E- deficient mice. Am J Clin Nutr. 2000;71(5):1062–76. https://doi.org/10.1093/ajcn/71.5.1062.
Mani JS, Johnson JB, Steel JC, Broszczak DA, Neilsen PM, Walsh KB, Naiker M. Natural product-derived phytochemicals as potential agents against coronaviruses: A review. Virus Res. 2020;284:197989. https://doi.org/10.1016/j.virusres.2020.197989.
Article CAS PubMed PubMed Central Google Scholar
Jo S, Kim S, Kim DY, Kim MS, Shin DH. Flavonoids with inhibitory activity against SARS-CoV-2 3CLpro. J Enzyme Inhib Med Chem. 2020;35(1):1539–44. https://doi.org/10.1080/14756366.2020.1801672.
Article CAS PubMed PubMed Central Google Scholar
Singh S, Malik BK, Sharma DK. Molecular drug targets and structure-based drug design: a holistic approach. Bioinformation. 2006;1:314–20. https://doi.org/10.6026/97320630001314.
Article PubMed PubMed Central Google Scholar
Ekins S, Mestres J, Testa BB. In silico pharmacology for drug discovery: applications to targets and beyond. J Pharmacol. 2007;152:21–37. https://doi.org/10.1038/sj.bjp.0707306.
Czodrowski P, KriegL JM, Scheuerer S, Fox T. Computational approaches to predict drug metabolism. Expert Opin Drug Metab Toxicol. 2009;5(1):15–27. https://doi.org/10.1517/17425250802568009.
Article CAS PubMed Google Scholar
Henckel JG, Billings EM. Molecular modeling. In: Foye WO, Lemke TL, Williamns DA (Eds.). Principles of medicinal chemistry (4a ed.). Media: Williams e Wilkins; 1995. p.57–58.
Sant’Anna CMR. Glossary of terms used in drug planning (IUPAC Recommendations for 1997). New Chem. 2002;25:505–12. https://doi.org/10.1590/S0100-40422002000300027.
Santana FPR, Thevenard F, Gomes KS, Taguchi L, Câmara NOS, Stilhano RS, Ureshino RP, Prado CM, Lago JHG. New perspectives on natural flavonoids on COVID-19-induced lung injuries. Phytother Res. 2021;35(9):1–19. https://doi.org/10.1002/ptr.7131.
Jain AS, Sushma P, Dharmashekar C, Beelagi MS, Prasad SK, Shivamallu C, Prasad KS. In silico evaluation of flavonoids as effective antiviral agents on the spike glycoprotein of SARS-CoV-2. Saudi J Biol Sci. 2021;28(1):1040–51. https://doi.org/10.1016/j.sjbs.2020.11.049.
Article CAS PubMed Google Scholar
Rameshkumar MR, Indu P, Arunagirinathan N, Venkatadri B, El-serehy HA, Ahmad A. Computational selection of flavonoid compounds as inhibitors against SARS-CoV-2 main protease, RNA-dependent RNA polymerase and spike proteins: A molecular docking study. Saudi J Biol Sci. 2021;28(1):448–58. https://doi.org/10.1016/j.sjbs.2020.10.028.
Article CAS PubMed Google Scholar
Khazdair MR, Anaeigoudari A, Agbor GA. Anti-viral and anti-inflammatory effects of kaempferol and quercetin and COVID-2019: A scoping review. Asian Pacific Journal of Tropical Biomedicine. 2021;11:327–34. Available from: https://www.apjtb.org/text.asp?2021/11/8/327/319567
Kaul R, Paul P, Kumar S, Büsselberg D, Dwivedi VD, Chaari A. Promising antiviral activities of natural flavonoids against SARS-CoV-2 targets: systematic review. Int J Mol Sci. 2021;22(20):11069. https://doi.org/10.3390/ijms222011069.
Article CAS PubMed PubMed Central Google Scholar
Tricco AC, Lillie E, Zarin W, O’Brien KK, Colquhoun H, Levac D, Moher D, Peters MD, Horsley T, Weeks L, Hempel S. PRISMA extension for scope reviews (PRISMA-ScR): checklist and explanation. Ann Intern Med. 2018;169(7):467–73.
Higgins JPT, Thomas J, Chandler J, Cumpston M, Li T, Page MJ, Welch VA. Cochrane Handbook for Systematic Reviews of Interventions version 6.2. Cochrane. 2021. Disponível em. www.training.cochrane.org/handbook.
Joanna Briggs Institute (JBI). Methodology for JBI scoping reviews Joanna Briggs Institute. Manual. 2015. Retrieved 17 June 2021, from. https://joannabriggs.org/assets/docs/sumri/Reviewers-Manual_Methodology-for-JBI-Scoping-Reviews_2015_v2.pdf.
Mahdian S, Ebrahim-Habibi A, Zarrabi M. Drug repurposing using computational methods to identify therapeutic options for COVID-19. J Diabetes Metab Disord. 2020;19(2):691–9. https://doi.org/10.1007/s40200-020-00546-9.
Article CAS PubMed PubMed Central Google Scholar
Maurya VK, Kumar S, Prasad AK, Bhatt MLB, Saxena SK. Structure-based drug designing for potential antiviral activity of selected natural products from Ayurveda against SARS-CoV-2 spike glycoprotein and its cellular receptor. Virus Dis. 2020;31(2):179–93. https://doi.org/10.1007/s13337-020-00598-8.
Pandey P, Rane JS, Chatterjee A, Kumar A, Khan R, Prakash A, Ray S. Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development. J Biomol Struct Dyn. 2020;39(16):6306–16. https://doi.org/10.1080/07391102.2020.1796811.
Article CAS PubMed Google Scholar
Vijayakumar BG, Ramesh D, Joji A, Jayachandra PJ, Kannan T. In silico pharmacokinetic and molecular docking studies of natural flavonoids and synthetic indole chalcones against essential proteins of SARS-CoV-2. Eur J Pharmacol. 2020;886:173448. https://doi.org/10.1016/j.ejphar.2020.173448.
Article CAS PubMed PubMed Central Google Scholar
Yu R, Chen L, Lan R, Shen R, Li P. Computational screening of antagonists against the SARS-CoV-2 (COVID-19) coronavirus by molecular docking. Int J Antimicrob Agents. 2020;56(2):106012. https://doi.org/10.1016/j.ijantimicag.2020.106012.
Article CAS PubMed PubMed Central Google Scholar
Alagu Lakshmi S, Shafreen RMB, Priya A, Shunmugiah KP. Ethnomedicines of Indian origin for combating COVID-19 infection by hampering the viral replication: using structure-based drug discovery approach. J Biomol Struct Dyn. 2021;39(13):459404609. https://doi.org/10.1080/07391102.2020.1778537.
Gorla US, Rao GK, Kulandaivelu US, Alavala RR, Panda SP. Lead finding from selected flavonoids with antiviral (SARS-CoV-2) potentials against COVID-19: an in-silico Evaluation. Comb Chem High Throughput Screen. 2021;24(6):879–90. https://doi.org/10.2174/1386207323999200818162706.
Article CAS PubMed Google Scholar
Fatoki TH, Ibraheem O, Ogunyemi IO, Akinmoladun AC, Ugboko HU, Adeseko CJ, Awofisayo OA, Olusegun SJ, Enibukun JM. Network analysis, sequence and structure dynamics of key proteins of coronavirus and human host, and molecular docking of selected phytochemicals of nine medicinal plants. J Biomol Struct Dyn. 2021;39(16):6195–217. https://doi.org/10.1080/07391102.2020.1794971.
Article CAS PubMed Google Scholar
Kandeel M, Abdelrahman AHM, Oh-Hashi K, Ibrahim A, Venugopala KN, Morsy MA, Ibrahim MAA. Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease. J Biomol Struct Dyn. 2021;39(14):5129–36. https://doi.org/10.1080/07391102.2020.1784291.
Article CAS PubMed Google Scholar
Alamri MA, Altharawi A, Alabbas AB, Alossaimi MA, Alqahtani SM. Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics. Arab J Chem. 2020;13(9):7224–34. https://doi.org/10.1016/j.arabjc.2020.08.004.
Article CAS PubMed PubMed Central Google Scholar
Chitranshi N, Gupta VK, Rajput R, Godinez A, Pushpitha K, Shen T, Mirzaei M, You Y, Basavarajappa D, Gupta V, Graham SL. Evolving geographic diversity in SARS-CoV2 and in silico analysis of replicating enzyme 3CL(pro) targeting repurposed drug candidates. J Transl Med. 2020;18:278. https://doi.org/10.1186/s12967-020-02448-z.
Article CAS PubMed PubMed Central Google Scholar
Dubey K, Dubey R. Computation screening of narcissoside a glycosyloxyflavone for potential novel coronavirus 2019 (COVID-19) inhibitor. Biomedical Journal. 2020;43:363–7. https://doi.org/10.1016/j.bj.2020.05.002.
Article PubMed PubMed Central Google Scholar
Jo S, Kim S, Shin DH, Kim MS. Inhibition of SARS-CoV 3CL protease by flavonoids. J Enzyme Inhib Med Chem. 2020;35(1):145–51. https://doi.org/10.1080/14756366.2019.1690480.
Article CAS PubMed Google Scholar
Khalifa I, Nawaz A, Sobhy R, Althwab SA, Barakat H. Polyacylated anthocyanins constructively network with catalytic dyad residues of 3CL(pro) of 2019-nCoV than monomeric anthocyanins: A structural-relationship activity study with 10 anthocyanins using in-silico approaches. J Mol Graph Model. 2020;100:107690. https://doi.org/10.1016/j.jmgm.2020.107690.
Article CAS PubMed PubMed Central Google Scholar
Meyer-Almes FJ. Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design. Comput Biol Chem. 2020;88:107351. https://doi.org/10.1016/j.compbiolchem.2020.107351.
Article CAS PubMed PubMed Central Google Scholar
Tao Q, Du J, Li X, Zeng J, Tan B, Xu J, Lin W, Chen XL. Network pharmacology and molecular docking analysis on molecular targets and mechanisms of Huashi Baidu formula in the treatment of COVID-19. Drug Dev Ind Pharm. 2020;46(8):1345–53. https://doi.org/10.1080/03639045.2020.1788070.
Article CAS PubMed PubMed Central Google Scholar
Joshi RS, Jagdale SS, Bansode SB, Shankar SS, Tellis MB, Pandya VK, Chugh A, Giri AP, Kulkarni MJ. Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease. J Biomol Struct Dyn. 2021;39(9):3099–114. https://doi.org/10.1080/07391102.2020.1760137.
Article CAS PubMed Google Scholar
Chikhale RV, Gurav SS, Patil RB, Sinha SK, Prasad SK, Shakya A, Shrivastava SK, Gurav NS, Prasad RS. Sars-cov-2 host entry and replication inhibitors from Indian ginseng: an in-silico approach. J Biomol Struct Dyn. 2020;24:1–15. https://doi.org/10.1080/07391102.2020.1784289.
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