Skip to main content
bioRxiv
  • Home
  • About
  • Submit
  • ALERTS / RSS
Advanced Search
New Results

Molecular Modeling Evaluation of the Binding Abilities of Ritonavir and Lopinavir to Wuhan Pneumonia Coronavirus Proteases

Shen Lin, Runnan Shen, View ORCID ProfileXushun Guo
doi: https://doi.org/10.1101/2020.01.31.929695
Shen Lin
Zhongshan School of Medicine, Sun Yat-sen University, Guangzhou, China
  • Find this author on Google Scholar
  • Find this author on PubMed
  • Search for this author on this site
Runnan Shen
Zhongshan School of Medicine, Sun Yat-sen University, Guangzhou, China
  • Find this author on Google Scholar
  • Find this author on PubMed
  • Search for this author on this site
Xushun Guo
Zhongshan School of Medicine, Sun Yat-sen University, Guangzhou, China
  • Find this author on Google Scholar
  • Find this author on PubMed
  • Search for this author on this site
  • ORCID record for Xushun Guo
  • For correspondence: guoxsh3@mail2.sysu.edu.cn
  • Abstract
  • Full Text
  • Info/History
  • Metrics
  • Supplementary material
  • Preview PDF
Loading

Abstract

An anti-HIV drug named Kaletra, composed of two protease inhibitors, ritonavir and lopinavir, might have therapeutic effect on coronavirus diseases like Wuhan pneumonia. In this study, we built the structure models of two Wuhan pneumonia coronavirus proteases, coronavirus endopeptidase C30 and papain like viral protease, by homology modeling, followed by docking ritonavir and lopinavir to the protease models, respectively. In all the simulations, the binding between ritonavir and coronavirus endopeptidase C30 was most suitable. In addition, both ritonavir and lopinavir seemed more suitable to bind to coronavirus endopeptidase C30 than papain like viral protease. According to these results, we suggest that the therapeutic effect of Kaletra on Wuhan pneumonia, might be mainly due to the inhibitory effect of ritonavir on coronavirus endopeptidase C30.

Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license.
Back to top
PreviousNext
Posted February 03, 2020.
Download PDF

Supplementary Material

Email

Thank you for your interest in spreading the word about bioRxiv.

NOTE: Your email address is requested solely to identify you as the sender of this article.

Enter multiple addresses on separate lines or separate them with commas.
Molecular Modeling Evaluation of the Binding Abilities of Ritonavir and Lopinavir to Wuhan Pneumonia Coronavirus Proteases
(Your Name) has forwarded a page to you from bioRxiv
(Your Name) thought you would like to see this page from the bioRxiv website.
CAPTCHA
This question is for testing whether or not you are a human visitor and to prevent automated spam submissions.
Share
Molecular Modeling Evaluation of the Binding Abilities of Ritonavir and Lopinavir to Wuhan Pneumonia Coronavirus Proteases
Shen Lin, Runnan Shen, Xushun Guo
bioRxiv 2020.01.31.929695; doi: https://doi.org/10.1101/2020.01.31.929695
Digg logo Reddit logo Twitter logo Facebook logo Google logo LinkedIn logo Mendeley logo
Citation Tools
Molecular Modeling Evaluation of the Binding Abilities of Ritonavir and Lopinavir to Wuhan Pneumonia Coronavirus Proteases
Shen Lin, Runnan Shen, Xushun Guo
bioRxiv 2020.01.31.929695; doi: https://doi.org/10.1101/2020.01.31.929695

Citation Manager Formats

  • BibTeX
  • Bookends
  • EasyBib
  • EndNote (tagged)
  • EndNote 8 (xml)
  • Medlars
  • Mendeley
  • Papers
  • RefWorks Tagged
  • Ref Manager
  • RIS
  • Zotero
  • Tweet Widget
  • Facebook Like
  • Google Plus One

Subject Area

  • Biochemistry
Subject Areas
All Articles
  • Animal Behavior and Cognition (3609)
  • Biochemistry (7585)
  • Bioengineering (5533)
  • Bioinformatics (20825)
  • Biophysics (10344)
  • Cancer Biology (7995)
  • Cell Biology (11653)
  • Clinical Trials (138)
  • Developmental Biology (6617)
  • Ecology (10224)
  • Epidemiology (2065)
  • Evolutionary Biology (13639)
  • Genetics (9557)
  • Genomics (12856)
  • Immunology (7930)
  • Microbiology (19568)
  • Molecular Biology (7675)
  • Neuroscience (42182)
  • Paleontology (308)
  • Pathology (1259)
  • Pharmacology and Toxicology (2208)
  • Physiology (3271)
  • Plant Biology (7058)
  • Scientific Communication and Education (1295)
  • Synthetic Biology (1953)
  • Systems Biology (5433)
  • Zoology (1119)