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

• Hoofdauteurs: Amad Uddin (Auteur), Sonal Gupta (Auteur), Taj Mohammad (Auteur), Diksha Shahi (Auteur), Afzal Hussain (Auteur), Mohamed F. Alajmi (Auteur), Hesham R. El-Seedi (Auteur), Imtaiyaz Hassan (Auteur), Shailja Singh (Auteur), Mohammad Abid (Auteur)
• Formaat: Boek
• Gepubliceerd in: Frontiers Media S.A., 2022-04-01T00:00:00Z.
• Onderwerpen: article
• Online toegang: 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...