• Users Online: 87
  • Print this page
  • Email this page
ORIGINAL ARTICLE
Year : 2020  |  Volume : 4  |  Issue : 4  |  Page : 330-336

In Silico modeling and docking study of potential helicase (nonstructural proteins) inhibitors of novel coronavirus 2019 (severe acute respiratory syndrome coronavirus 2)


School of Biotechnology, Gangadhar Meher University, Sambalpur, Odisha, India

Correspondence Address:
Dr. Raghunath Satpathy
School of Biotechnology, Gangadhar Meher University, AmrutaVihar, Sambalpur - 786 004, Odisha
India
Login to access the Email id

Source of Support: None, Conflict of Interest: None


DOI: 10.4103/bbrj.bbrj_149_20

Rights and Permissions

Background: Currently, the helicase enzyme of novel severe acute respiratory syndrome coronavirus 2019 has been proposed as a potential drug target. This work envisages predicting the three dimensional (3D) structure of helicase (nonstructural protein 13) and screen for the novel inhibitor molecules. Methods: For this purpose, the sequence information of helicase enzyme was obtained from NCBI, and 3D model was predicted using I TASSER server followed by model validation. The helicase enzyme sequence was then used to search for the potential inhibitors in the Drug Bank database. The search resulted eight numbers of probable drug molecules against the receptor. To confirm the binding affinity of the drug molecules, further molecular docking study was conducted using AutoDock Vina software. Results: From the docking result, it was obtained that, among all eight numbers, only the molecule remdesivir shows more binding affinity to the nucleoside triphosphate binding site of helicase enzyme and further confirmed by analysis of amino acid interaction profile. Conclusion: In the present study, it was predicted that, the drug molecule remdesivir can be suitably used as a helicase inhibitor in case of novel severe acute respiratory syndrome coronavirus 2019.


[FULL TEXT] [PDF]*
Print this article     Email this article
 Next article
 Previous article
 Table of Contents

 Similar in PUBMED
   Search Pubmed for
   Search in Google Scholar for
 Related articles
 Citation Manager
 Access Statistics
 Reader Comments
 Email Alert *
 Add to My List *
 * Requires registration (Free)
 

 Article Access Statistics
    Viewed1010    
    Printed20    
    Emailed0    
    PDF Downloaded127    
    Comments [Add]    
    Cited by others 1    

Recommend this journal