Auto QSAR-based Active learning docking for hit identification of potential inhibitors ofPlasmodium falciparum Hsp90 as antimalarial agents
Thato Matlhodi, Lisema Patrick Makatsela, Tendamudzimu Harmfree Dongola, Mthokozisi Blessing Cedric Simelane, Addmore Shonhai, Njabulo Joyfull Gumede, Fortunate Mokoena
The paper uses active learning and docking to identify potential inhibitors of Plasmodium falciparum Hsp90, finding FTN-T5 as a potent compound with moderate selectivity.
PLoS ONE · Nov 25, 2024Peer-reviewedBiochemistry