New chalcone derivatives as effective against SARS-CoV-2 agent
dc.authorid | Cimen Acikgul, Funda/0000-0002-8904-1444 | |
dc.authorid | Duran, Nizami/0000-0002-2766-3491 | |
dc.authorid | POLAT, M. Fatih/0000-0002-2838-163X | |
dc.contributor.author | Duran, Nizami | |
dc.contributor.author | Polat, M. Fatih | |
dc.contributor.author | Aktas, Derya Anil | |
dc.contributor.author | Alagoz, M. Abdullah | |
dc.contributor.author | Ay, Emrah | |
dc.contributor.author | Cimen, Funda | |
dc.contributor.author | Tek, Erhan | |
dc.date.accessioned | 2024-09-18T21:05:14Z | |
dc.date.available | 2024-09-18T21:05:14Z | |
dc.date.issued | 2021 | |
dc.department | Hatay Mustafa Kemal Üniversitesi | en_US |
dc.description.abstract | Aims Flavonoids and related compounds, such as quercetin-based antiviral drug Gene-Eden-VIR/Novirin, inhibit the protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The alkylated chalcones isolated from Angelica keiskei inhibit SARS-CoV proteases. In this study, we aimed to compare the anti-SARS CoV-2 activities of both newly synthesized chalcone derivatives and these two drugs. Methods Determination of the potent antiviral activity of newly synthesized chalcone derivatives against SARS-CoV-2 by calculating the RT-PCR cycling threshold (C-t) values. Results Antiviral activities of the compounds varied because of being dose dependent. Compound 6, 7, 9, and 16 were highly effective against SARS-CoV-2 at the concentration of 1.60 mu g/mL. Structure-based virtual screening was carried out against the most important druggable SARS-CoV-2 targets, viral RNA-dependent RNA polymerase, to identify putative inhibitors that could facilitate the development of potential anti-coronavirus disease-2019 drug candidates. Conclusions Computational analyses identified eight compounds inhibiting each target, with binding affinity scores ranging from -4.370 to -2.748 kcal/mol along with their toxicological, ADME, and drug-like properties. | en_US |
dc.identifier.doi | 10.1111/ijcp.14846 | |
dc.identifier.issn | 1368-5031 | |
dc.identifier.issn | 1742-1241 | |
dc.identifier.issue | 12 | en_US |
dc.identifier.pmid | 34519118 | en_US |
dc.identifier.scopus | 2-s2.0-85115626984 | en_US |
dc.identifier.scopusquality | Q1 | en_US |
dc.identifier.uri | https://doi.org/10.1111/ijcp.14846 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12483/13465 | |
dc.identifier.volume | 75 | en_US |
dc.identifier.wos | WOS:000698956100001 | en_US |
dc.identifier.wosquality | Q2 | en_US |
dc.indekslendigikaynak | Web of Science | en_US |
dc.indekslendigikaynak | Scopus | en_US |
dc.indekslendigikaynak | PubMed | en_US |
dc.language.iso | en | en_US |
dc.publisher | Wiley-Hindawi | en_US |
dc.relation.ispartof | International Journal of Clinical Practice | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | Biological Evaluation | en_US |
dc.subject | Potential Treatment | en_US |
dc.subject | Flavonoids | en_US |
dc.subject | Docking | en_US |
dc.subject | Design | en_US |
dc.subject | L. | en_US |
dc.title | New chalcone derivatives as effective against SARS-CoV-2 agent | en_US |
dc.type | Article | en_US |
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