A computational study on the inhibition of MCL-1 anti-apoptotic protein to activate apoptosis in cancer cells via commercially available natural product derivatives

Costa,M.S.VRatnaweera,C.NUdawatte,C.S2025-02-252025-02-252019-05https://dr.ichemc.ac.lk/handle/123456789/326Technical Sessions : A - 32 Page 39Bcl-2, BCL-XL and MCL-1 (Myeloid cell leukemia-1) are important anti-apoptotic proteins. The objective of this research was to identify commercially available natural product derivatives to inhibit MCL-1. Ligands were obtained from the ZINC12 database which provides 30793 chemically modified, commercially available natural product derivatives.ennatural productanti-apoptotic proteinCrystal structuresA computational study on the inhibition of MCL-1 anti-apoptotic protein to activate apoptosis in cancer cells via commercially available natural product derivativesArticle