Abstract by David Kastner
Chemistry and Biochemistry
Progress toward synthetically simplified Yaku’amide A analogues
Due to the complex amino acid profile of Yaku'amide, little progress has been made in understanding its anticancer mechanism. To address this problem we designed eight yaku'amide mimicking analogues in silico and geometrically optimized them using quantum mechanic/molecular mechanic hybrid simulations. The results of the study show that two of the original eight analogues closely mimic lower energy conformations of Yaku'amide.