• Nizami Duran, M Fatih Polat, Derya Anil Aktas, M Abdullah Alagoz, Emrah Ay, Funda Cimen, Erhan Tek, Baris Anil, Serdar Burmaoglu, and Oztekin Algul.
• Department of Medical Microbiology, Medical Faculty, Mustafa Kemal University, Antakya, Turkey.
• Int. J. Clin. Pract. 2021 Dec 1; 75 (12): e14846.

AimsFlavonoids 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.MethodsDetermination of the potent antiviral activity of newly synthesized chalcone derivatives against SARS-CoV-2 by calculating the RT-PCR cycling threshold (Ct ) values.ResultsAntiviral 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.ConclusionsComputational 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 Ltd.

10 keywords...

hide…