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

Abstract

Bcl-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.

Description

Technical Sessions : A - 32 Page 39

Keywords

natural product, anti-apoptotic protein, Crystal structures

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