In silico efficacy of [S]-8-gingerol (a derivative) with 6-gingerol against PT-domain of Polyketide synthase A (PksA)

The PT-domain of Polyketide synthase A (PksA) is crucial product template that controls the aldol cyclization and aromatization to create polyketide precursor. precursor leads biosynthesis of aflatoxin secondary metabolites. Being carcinogenic in nature these metabolic, efforts have been made explore novel inhibitors targeting PksA. Previously, [6]-gingerol reported as a prospective inhibitor for inhibition aflatoxin biosynthesis, but some its derivatives such as (S)- [8]-gingerol, 9-Hydroxy-[6]-gingerol, 9-gingerol, 5-O-methyl-[9]-gingerol, methyl-6-gingerol, [5]-gingerol exhibited better binding affinity. Notably, Leu1508, Asn1554, Asn1568, are key amino acid residues involved stabilizing ligand-protein interaction. study explores understanding to develop new approach drug against restrict at initiation. However, a detailed vivo required further evaluation at stage.