New chalcone derivatives as effective against SARS-CoV-2 agent

Area of Science:

• Medicinal Chemistry
• Virology
• Drug Discovery

Background:

• Flavonoids and chalcones, including quercetin derivatives like Gene-Eden-VIR/Novirin, are known to inhibit SARS-CoV-2 protease.
• Alkylating chalcones from Angelica keiskei also exhibit inhibitory effects on SARS-CoV proteases.

Purpose of the Study:

• To compare the anti-SARS-CoV-2 activities of novel synthesized chalcone derivatives with existing drugs.
• To identify potent antiviral agents against SARS-CoV-2.

Main Methods:

• Determination of antiviral activity using RT-PCR cycling threshold (Ct) values.
• Structure-based virtual screening against SARS-CoV-2 RNA-dependent RNA polymerase.
• Evaluation of toxicological, ADME, and drug-like properties.

Main Results:

• Antiviral activity was dose-dependent, with compounds 6, 7, 9, and 16 showing high efficacy at 1.60 µg/mL.
• Virtual screening identified eight compounds with significant binding affinity scores (-4.370 to -2.748 kcal/mol) against viral targets.

Conclusions:

• Newly synthesized chalcone derivatives demonstrate significant antiviral potential against SARS-CoV-2.
• Computational analysis suggests these compounds as promising candidates for developing novel COVID-19 therapeutics.