Synthesis of Potential Antiviral Agents for SARS-CoV-2 Using Molecular Hybridization Approach.

Kailey A WymanAdel S GirgisPragnakiran S SurapaneniJade M MooreNoura M Abo ShamaSara H MahmoudAhmed Mostafa Reham F BarghashZou JuanRadha D DobariaAhmad J Almalki Tarek S Ibrahim Siva S Panda

Published in: Molecules (Basel, Switzerland) (2022)

We synthesized a set of small molecules using a molecular hybridization approach with good yields. The antiviral properties of the synthesized conjugates against the SAR-CoV-2 virus were investigated and their cytotoxicity was also determined. Among all the synthesized conjugates, compound 9f showed potential against SARS-CoV-2 and low cytotoxicity. The conjugates' selectivity indexes (SIs) were determined to correlate the antiviral properties and cytotoxicity. The observed biological data were further validated using computational studies.

Keyphrases

sars cov
respiratory syndrome coronavirus
single molecule
cancer therapy
oxide nanoparticles
big data
electronic health record
label free
risk assessment
mass spectrometry
drug delivery
artificial intelligence
structural basis