Fragment-based in silico design of SARS-CoV-2 main protease inhibitors

• Main Authors: Ahmad, Sarfraz, Mirza, Muhammad Usman, Kee, Lee Yean, Nazir, Mamoona, Abdul Rahman, Noorsaadah, Trant, John F., Abdullah, Iskandar
• Format: Article
• Published: Wiley 2021
• Subjects: QD Chemistry; QH301 Biology; RM Therapeutics. Pharmacology; RS Pharmacy and materia medica
• Online Access: http://eprints.um.edu.my/28707/

3CLpro is essential for SARS-CoV-2 replication and infection; its inhibition using small molecules is a potential therapeutic strategy. In this study, a comprehensive crystallography-guided fragment-based drug discovery approach was employed to design new inhibitors for SARS-CoV-2 3CLpro. All small...