Computational identification of inhibitors of protein-protein interactions.

Computational identification of inhibitors of protein-protein interactions. Research Abstract Details 

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Computational identification of inhibitors of protein-protein interactions. Abstract Text:

Shijun Zhong,Alba T Macias,Alexander D MacKerell,

The ability to control protein-protein interactions (PPIs) for therapeutic purposes is attractive since many processes in cells involve such interactions. Recent successes in the discovery of small molecules that target protein-protein interactions for drug development have shown that targeting these interactions is indeed feasible. In the present review the use of computer-aided drug design (CADD) via database screening or docking algorithms for identifying inhibitors of protein-protein interactions is introduced. The principles of database screening and a practical protocol for targeting PPIs are described. The recent applications of these approaches to different systems involving protein-protein interactions, including BCL-2, S100B, ERK and p56lck, are presented and provide valuable examples of inhibitor discovery and design.

Computational identification of inhibitors of protein-protein interactions. Publishing Authors By Initials

S Zhong,AT Macias,AD MacKerell,

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Computational identification of inhibitors of protein-protein interactions. Journal Published:

PUBLICATION TYPE: Review

Journal: Current topics in medicinal chemistry

VOLUME: 7

Page Numbers: 63-82

Journal Abbreviation:

ISSN: 1873-4294

DAY: 3

MONTH: 12

YEAR: 2007

Computational identification of inhibitors of protein-protein interactions. Information

Number of References: 288

LANGUAGE: eng

NlmUniqueID: 101119673

Computational identification of inhibitors of protein-protein interactions. Keywords Mesh Terms:

KEYWORDS: Proteins

MESH TERMS: physiology

Chemical & Substance for Abstract: Computational identification of inhibitors of protein-protein interactions. Information

Substance Name: Proteins

Registry Number: 0

Grant and Affiliation Information for Computational identification of inhibitors of protein-protein interactions.

AFFILIATION: Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, 20 Penn Street, Baltimore, MD 21201, USA.

Country: Netherlands

AGENCY: United States NCI

GRANT: CA120215

ACRONYM: CA

MEDLINETA: Curr Top Med Chem

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