New Chalcone Derivatives as Effective Anti-SARS-CoV-2 Agents

• Published in: International Journal of Clinical Practice
• Main Authors: Duran, Nizami, Polat, M Fatih, Derya Anil Aktas, M. Abdullah Alagoz, Ay, Emrah, Cimen, Funda, Tek, Erhan, Baris Anil, Burmaoglu, Serdar, Oztekin Algul
• Format: Web Resource
• Language: English
• Published: Hoboken John Wiley & Sons, Inc 14.09.2021
• DOI: 10.1111/ijcp.14846

Aims Flavonoids and related compounds, such as quercetin-based antiviral drug Gene-Eden-VIR/Novirin, inhibit the protease of severe acute respiratory syndrome coronavirus (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 The current study aimed to determine 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 due to being dose dependent. Compound 6, 7, 9 and 16 were highly effective against SARS-CoV-2 at concentrations 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 (RdRp), to identify putative inhibitors that could facilitate the development of potential anti-COVID-19 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.