Identification of LASSBio-1945 as an inhibitor of SARS-CoV-2 main protease (MPRO) through in silico screening supported by molecular docking and a fragment-based pharmacophore model-Reference-Cited by-同舟云学术

Identification of LASSBio-1945 as an inhibitor of SARS-CoV-2 main protease (MPRO) through in silico screening supported by molecular docking and a fragment-based pharmacophore model

Published:2021 Issue:1 Volume:12 Page:110-119
ISSN:2632-8682
Container-title:RSC Medicinal Chemistry
language:en
Short-container-title:RSC Med. Chem.

Author:

Franco Lucas S.¹²³⁴⁵^ORCID,Maia Rodolfo C.⁶²⁷⁸⁴^ORCID,Barreiro Eliezer J.¹²³⁴⁵^ORCID

Affiliation:

1. Programa de Pós-Graduação em Farmacologia e Química Medicinal

2. Instituto de Ciências Biomédicas

3. Universidade Federal do Rio de Janeiro

4. Rio de Janeiro

5. Brazil

6. Laboratório de Avaliação e Síntese de Substâncias Bioativas (LASSBio®, http://www.lassbio.icb.ufrj.br)

7. CCS

8. Universidade Federal do Rio de Janeiro, Cidade Universitária

Abstract

A SARS-CoV-2 main protease (M^PRO) inhibitor was discovered employing molecular docking and a fragment-based pharmacophore model as virtual screening strategies.

Funder

Instituto Nacional de Ciência e Tecnologia de Fármacos e Medicamentos

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Drug Discovery,Pharmaceutical Science,Pharmacology,Molecular Medicine,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/MD/D0MD00282H

Reference52 articles.

1. Coronavirus Infections—More Than Just the Common Cold

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3. A new coronavirus associated with human respiratory disease in China