A crystallography-based investigation of weak interactions for drug design against COVID-19-Reference-Cited by-同舟云学术

A crystallography-based investigation of weak interactions for drug design against COVID-19

Published:2021 Issue:12 Volume:23 Page:7261-7270
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sepay Nayim¹²³⁴^ORCID,Saha Pranab Chandra¹⁵⁶⁴,Shahzadi Zarrin¹²³⁴,Chakraborty Aratrika¹²³⁴,Halder Umesh Chandra¹⁵⁶⁴^ORCID

Affiliation:

1. Department of Chemistry

2. Lady Brabourne College

3. Kolkata - 700017

4. India

5. Jadavpur University

6. Kolkata - 700032

Abstract

Via analyzing 143 crystal structures of SARS-CoV-2 M^pro, we identified the most important active site amino acids, the nature and propensity of their interactions with small molecules and the relevant fragments of ligands to design new pharmacophores.

Funder

University Grants Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP05714B

Reference32 articles.

1. Guest Editor's Introduction

2. Therapeutic options for the 2019 novel coronavirus (2019-nCoV)

3. Discovering drugs to treat coronavirus disease 2019 (COVID-19)

4. Coronavirus puts drug repurposing on the fast track

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