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New chalcone derivatives as effective against SARS-CoV-2 agentDuran, NizamiPolat, M. FatihAktas, Derya AnilAlagoz, M. AbdullahAy, EmrahCimen, FundaTek, ErhanAnil, BarisBurmaoglu, SerdarAlgul, OztekinAntiviral AgentsChalconeChalconesCOVID-19HumansSARS-CoV-21 (2,5 difluorophenyl) 3 (2,4,6 trimethoxyphenyl)prop 2 en 1 one1 (3 bromo 2 hydroxy 4,6 dimethoxyphenyl) 3 (2,5 difluorophenyl)prop 2 en 1 one1 (3 bromo 2 hydroxy 4,6 dimethoxyphenyl) 3 (3,5 difluorophenyl)prop 2 en 1 one1 (3 bromo 2 hydroxy 4,6 dimethoxyphenyl) 3 [2 fluoro 5 ( trifluoromethyl)phenyl]prop 2 en 1 one1 (3 bromo 2 hydroxy 4,6 dimethoxyphenyl) 3(2,4,5 trifluorophenyl)propprop 2 en 1 one1 (3 bromo 2 hydroxy 4,6 dimethoxyphenyl)ethan 1 one1 (3,5 difluorophenyl) 3 (2,4,6 trimethoxyphenyl)prop 2 en 1 one1 [2 fluoro 5 (trifluoromethyl)phenyl] 3 (2,4,6 trimethoxyphenyl)prop 2 en 1 one1 [3,5 bis(trifluoromethyl)phenyl] 3 (2,4,6 trimethoxyphenyl)prop 2 en 1 oneanti-SARS-CoV-2 agentchalcone derivativeunclassified drugvirus RNAantivirus agentantiviral activityArticlebinding affinitycarbon nuclear magnetic resonancecontrolled studydose responsedrug efficacydrug isolationdrug potencydrug structureAims: 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 (Ct) 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 µg/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. © 2021 John Wiley & Sons LtdJohn Wiley and Sons Inc2021Articlehttps://rdlopen.rawdatalibrary.net/r/ebyu/13162https://doi.org/10.1111/ijcp.148461368-5031enInternational Journal of Clinical Practiceinfo:eu-repo/semantics/openAccessinfo:eu-repo/semantics/articlehttps://ebyu-rdlopen.rawdatalibrary.net/tr/items/ebyu/13162