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Molecular docking analysis of FDA approved drugs with the glycoprotein from Junin and Machupo viruses
Himani Malhotra1, Arvind Kumar2, Yasir Afaq3
1Department of Biotechnology, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, INDIA - 144411.
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 Dihydro ergotamine with the protein target for further validation and consideration.
Insights
Junin and Machupo viruses cause hemorrhagic fever in South America. Molecular docking identified MK-3207 and Dihydro ergotamine as potential drug candidates targeting viral glycoproteins.
Area of Science:
- Virology
- Molecular Biology
- Drug Discovery
Background:
- Junin and Machupo viruses are South American arenaviruses responsible for hemorrhagic fevers.
- Transmission occurs via rodents, leading to chronic illness and high mortality in humans.
- Effective antiviral therapies are crucial for managing these diseases.
Purpose of the Study:
- To investigate the potential of FDA-approved drugs for treating Junin and Machupo viral infections.
- To perform molecular docking analysis of selected drugs against viral glycoproteins.
- To identify promising drug candidates for further development.
Main Methods:
- Molecular docking simulations were employed to analyze drug-protein interactions.
- The study focused on the glycoproteins of Junin and Machupo viruses as targets.
- Binding affinities and features of FDA-approved drugs were evaluated.
Main Results:
- MK-3207 demonstrated optimal binding features with the target protein.
- Dihydro ergotamine also exhibited favorable binding characteristics.
- These findings suggest potential therapeutic applications for these compounds.
Conclusions:
- MK-3207 and Dihydro ergotamine show promise as antiviral agents against Junin and Machupo viruses.
- Further validation is recommended for these drug candidates in preclinical and clinical studies.
- This research contributes to the ongoing efforts in arenavirus drug discovery.
