Target-Based Virtual Screening of Natural Compounds Identifies a Potent Antimalarial With Selective Falcipain-2 Inhibitory Activity

• Main Authors: Amad Uddin (Author), Sonal Gupta (Author), Taj Mohammad (Author), Diksha Shahi (Author), Afzal Hussain (Author), Mohamed F. Alajmi (Author), Hesham R. El-Seedi (Author), Imtaiyaz Hassan (Author), Shailja Singh (Author), Mohammad Abid (Author)
• Format: Book
• Published: Frontiers Media S.A., 2022-04-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

We employed a comprehensive approach of target-based virtual high-throughput screening to find potential hits from the ZINC database of natural compounds against cysteine proteases falcipain-2 and falcipain-3 (FP2 and FP3). Molecular docking studies showed the initial hits showing high binding affin...