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Anticancer, peptide, DFT, quantum, QM/MM, computational
Yaku’amide A was isolated in late 2010 from the deep-sea sponge Ceratopsion sp. and exhibits potent inhibitory activity against 39 human cancer cell lines via a potentially novel mode of action. However, the total synthesis requires many steps and produces low yields. In this study, we determined two simpler YA analogues that may retain its anticancer properties and can be synthesized in larger quantities. The analogues replace dehydroisoleucine with either dehydroethylnorvaline or dehydrovaline.
BYU ScholarsArchive Citation
Kastner, David W. and Castle, Steven L., "Progress Toward Synthetically Simplified Natural Anticancer Peptide" (2018). Library/Life Sciences Undergraduate Poster Competition 2018. 1.
Physical and Mathematical Sciences
Chemistry and Biochemistry
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