Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery.
Abhik Kumar RayParth Sarthi Sen GuptaSaroj Kumar PandaSatyaranjan BiswalUddipan BhattacharyaMalay Kumar RanaPublished in: Comput. Biol. Medicine (2022)
Keyphrases
- drug resistance
- human immunodeficiency virus
- drug design
- hiv protease
- quantitative structure activity
- drug discovery
- protein protein interactions
- data mining
- knowledge discovery
- coarse grained
- machine learning
- temporal sequences
- pattern discovery
- high throughput
- three dimensional
- information systems
- pharmaceutical industry