Literature DB >> 25516789

Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).

Chao Fang1, Brendan D'Souza1, Christopher F Thompson1, Matthew C Clifton2, James W Fairman2, Ben Fulroth1, Alison Leed1, Patrick McCarren1, Lili Wang1, Yikai Wang1, Clementine Feau1, Virendar K Kaushik1, Michelle Palmer1, Guo Wei1, Todd R Golub3, Brian K Hubbard1, Michael H Serrano-Wu1.   

Abstract

A direct binding screen of 100 000 sp(3)-rich molecules identified a single diastereomer of a macrolactam core that binds specifically to myeloid cell leukemia 1 (MCL1). A comprehensive toolbox of biophysical methods was applied to validate the original hit and subsequent analogues and also established a binding mode competitive with NOXA BH3 peptide. X-ray crystallography of ligand bound to MCL1 reveals a remarkable ligand/protein shape complementarity that diverges from previously disclosed MCL1 inhibitor costructures.

Entities:  

Keywords:  MCL1; biophysical validation; myeloid cell leukemia 1; sp3-rich

Year:  2014        PMID： 25516789      PMCID： PMC4265822          DOI： 10.1021/ml500388q

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN： 1948-5875            Impact factor:   4.345


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