Targeting mechanism for SARS-CoV-2 in silico: interaction and key groups of TMPRSS2 toward four potential drugs-Reference-Cited by-同舟云学术

Targeting mechanism for SARS-CoV-2 in silico: interaction and key groups of TMPRSS2 toward four potential drugs

Published:2021 Issue:45 Volume:13 Page:19218-19237
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Zhao Xiaoyu¹,Luo Song¹,Huang Kaifang²^ORCID,Xiong Danyang¹,Zhang John Z. H.²³⁴^ORCID,Duan Lili¹^ORCID

Affiliation:

1. School of Physics and Electronics, Shandong Normal University, Jinan, 250014, China

2. Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China

3. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, 200062, China

4. Department of Chemistry, New York University, NY, NY 10003, USA

Abstract

The binding affinity of camostat, gabexate, and nafamostat to TMPRSS2 shows great advantages, where nafamostat presents two reasonable binding conformations (forward and reverse directions) and the forward one is more stable than the reverse.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NR/D1NR06313H

Reference84 articles.

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

2. A pneumonia outbreak associated with a new coronavirus of probable bat origin

3. A Novel Coronavirus from Patients with Pneumonia in China, 2019

4. D.Cavanagh , in Coronaviruses with Special Emphasis on First Insights Concerning SARS , ed. A. Schmidt , M. H. Wolff and O. Weber , Birkhäuser Verlag Basel, Basel , 2005 , ch. 1, pp. 1–54

5. Severe neurologic syndrome associated with Middle East respiratory syndrome corona virus (MERS-CoV)

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Targeting SARS-CoV-2 entry processes: The promising potential and future of host-targeted small-molecule inhibitors;European Journal of Medicinal Chemistry;2024-01

2. Host Cell Proteases Mediating SARS-CoV-2 Entry: An Overview;Current Topics in Medicinal Chemistry;2022-08