Novel scaffolds identification against Mpro of SARS-CoV-2 using shape based screening and molecular simulation methods
Background: Pfizer in the USA has pioneered an orally active drug called Nirmatrelvir (PF-07321332) targeting the main protease (Mpro) protein of SARS-CoV-2. However, the current scenario demands additional scaffolds with greater potency and binding affinity. Methods: Various computational technique...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-06-01
|
| Series: | Chemical Physics Impact |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022424000409 |