• Users Online: 930
  • Print this page
  • Email this page
ORIGINAL ARTICLE
Year : 2019  |  Volume : 3  |  Issue : 4  |  Page : 269-276

Computer-aided docking studies of phytochemicals from plants Salix subserrata and Onion as inhibitors of glycoprotein G of rabies virus


1 Department of Bioinformatics, Patkar College of Arts and Science, Mumbai, Maharashtra, India
2 Molecular Genetics Research Laboratory, Bai Jerbai Wadia Hospital for Children, Mumbai, Maharashtra, India

Correspondence Address:
Mr. Lalit R Samant
Molecular Genetics Research Laboratory, Bai Jerbai Wadia Hospital for Children, Parel, Mumbai - 400 012, Maharashtra
India
Login to access the Email id

Source of Support: None, Conflict of Interest: None


DOI: 10.4103/bbrj.bbrj_124_19

Rights and Permissions

Objective: Rabies is a viral disease caused by the bite of an infected animal commonly a dog majorly affecting people in Africa and Asia and is extremely fatal if the infected person is not vaccinated. The glycoprotein G of the rabies virus is an important viral protein involved in the virus entry through endocytosis and its replication in the host cell; this protein was chosen as the target protein for modeling and docking analysis. Methods: Phytochemicals from plants Salix subserrata and onion have been reported to showing anti-rabies activity and were screened for in silico toxicity using SwissADME and Protox-II servers, and the two phytochemicals passing the filters (+)-catechin and kaempferol were docked with the receptor protein. The phytochemicals were docked using the software AutoDock Vina and SwissDock server by keeping the grid dimensions the same to validate the docking results. Results: (+)-Catechin gave better binding affinity, full fitness, and estimated ΔG values by AutoDock Vina and SwissADME than kaempferol and also formed conventional hydrogen bonds with the target protein; thus, the important active binding residues were also obtained from the results. Conclusion: Hence, ligand (+)-catechin is a potential natural inhibitor against rabies, and the study thus established the importance of natural product-based drug discovery against one of the most neglected and fatal diseases that is rabies.


[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
    Viewed81    
    Printed1    
    Emailed0    
    PDF Downloaded19    
    Comments [Add]    

Recommend this journal