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Title

Molecular docking analysis of FDA approved drugs with the glycoprotein from Junin and Machupo viruses

 

Authors

Himani Malhotra1,*, Arvind Kumar2,*, & Yasir Afaq3

 

Affiliation

1Department of Biotechnology, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, INDIA 144411; 2Department of Biochemistry, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, INDIA 144411; 3Department of Computer Science, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, INDIA 144411;   *Corresponding authors

 

Email

Arvind Kumar - Email: arvind.19345@lpu.co.in; Phone: +91-9815289975; Himani Malhotra - Email:himanimalhotra89@gmail.com, Phone: +91-9463133277 Yasir Afaq - Email:khyasir2@gmail.com,Phone:+91-9622949937

 

Article Type

Research Article

 

Date

Received October 30, 2021; Revised January 3, 2022; Accepted January 3, 2022, Published February 28, 2022

 

Abstract

Arenaviruses, Junin and Machupo are pathogenic viruses in regions of South America including Argentina and Bolivia causing haemorrhagic fever among humans. They have been transmitted to humans through mouse causing chronic illness with high mortality. Therefore, it is of interest to acquittance the molecular docking analysis data of FDA approved drugs with the glycoprotein from Junin and Machupo viruses for consideration in drug discovery. Thus, we report the optimal binding features of MK-3207 and Dihydroergotamine with the protein target for further validation and consideration.

 

Keywords

Drug design, ligands, Junin virus, Machupo virus, glycoprotein

 

Citation

Malhotra et al. Bioinformation 18(2): 119-126 (2022)

 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.