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Bioorg Med Chem Lett. 2009 Oct 1;19(19):5613-6. doi: 10.1016/j.bmcl.2009.08.034. Epub 2009 Aug 13.

Structure-based design of novel human Pin1 inhibitors (I).

Author information

1
Pfizer Global Research and Development, 10770 Science Center Drive, San Diego, CA 92121, USA. alex.guo@pfizer.com

Abstract

Pin1 is a member of the cis-trans peptidyl-prolyl isomerase family with potential anti-cancer therapeutic value. Here we report structure-based de novo design and optimization of novel Pin1 inhibitors. Without a viable lead from internal screenings, we designed a series of novel Pin1 inhibitors by interrogating and exploring a protein crystal structure of Pin1. The ligand efficiency of the initial concept molecule was optimized with integrated SBDD and parallel chemistry approaches, resulting in a more attractive lead series.

PMID:
19729306
DOI:
10.1016/j.bmcl.2009.08.034
[Indexed for MEDLINE]

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