Aflatoxins are toxic and carcinogenic components produced by some Aspergillus species
such as Aspergillus flavus. Polyketide synthases enzyme (PKS) plays a central role in
aflatoxin s biosynthesis of in Aspergillus flavus, especially the product template (PT) domain,
which controls the aldol cyclization of the polyketide forerunner during the biosynthesis of
the aflatoxin pathway process. Here, we apply the in silico approaches to validate 623
natural components obtained from the South African Natural Compound Database …

… In conclusion, about 623 natural components were examined to act as natural inhibitors
for the 239 3HRQ domain to block the polyketide synthesis enzyme. Docking results
showed that about 240 330 proved their ability to act as inhibitors. The 330 components
were filtered to elicit the best 241 …