Characterization, Molecular Modeling and Pharmacology of Some 2́-hydroxychalcone Derivatives As SARS-CoV-2 Inhibitor

Overview

Journal Results Chem

Publisher Elsevier

Date 2022 Mar 22

PMID 35313614

Authors

Mohammad Nasir Uddin

Sayeda Samina Ahmed

Monir Uzzaman

Md Nazmul Hassan Knock

Wahhida Shumi

Abul Fazal Md Sanaullah

Md Mosharef Hossain Bhuyain

Affiliations

Soon will be listed here.

Abstract

This work presented the microwave assisted synthesis of six new 2́-hydroxychalcones and their characterization based on FTIR, UV-Vis, H NMR, and mass spectral analysis. Quantum chemical studies confirmed the structures of prepared chalcones. Antioxidant, antimicrobial and antiviral studies have been performed to evaluate their biological performance. Results of molecular docking of prepared 2́-hydroxychalcones against SARS-CoV-2 (7BQY) main protease disclosed their inhibition which is comparable to standard, remdesivir and better than hydroxychloroquine (HCQ). ADMET prediction revealed them to be non-carcinogenic and relatively safe.

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