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Open AccessReview

Mimicking Strategy for Protein–Protein Interaction Inhibitor Discovery by Virtual Screening

by Ke-Jia Wu 1,†, Pui-Man Lei 1,†, Hao Liu 2, Chun Wu 2, Chung-Hang Leung 1,* and Dik-Lung Ma 2,*
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macao 999078, China
Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong 999077, China
Authors to whom correspondence should be addressed.
These authors contributed equally to this work.
Academic Editor: Qiao-Hong Chen
Molecules 2019, 24(24), 4428;
Received: 29 October 2019 / Revised: 21 November 2019 / Accepted: 28 November 2019 / Published: 4 December 2019
(This article belongs to the Special Issue Anticancer Agents: Design, Synthesis and Evaluation)
As protein–protein interactions (PPIs) are highly involved in most cellular processes, the discovery of PPI inhibitors that mimic the structure of the natural protein partners is a promising strategy toward the discovery of PPI inhibitors. In this review, we discuss recent advances in the application of virtual screening for identifying mimics of protein partners. The classification and function of the mimicking protein partner inhibitor discovery by virtual screening are described. We anticipate that this review would be of interest to medicinal chemists and chemical biologists working in the field of protein–protein interaction inhibitors or probes. View Full-Text
Keywords: protein–protein interactions; virtual screening; mimetics; drug discovery protein–protein interactions; virtual screening; mimetics; drug discovery
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MDPI and ACS Style

Wu, K.-J.; Lei, P.-M.; Liu, H.; Wu, C.; Leung, C.-H.; Ma, D.-L. Mimicking Strategy for Protein–Protein Interaction Inhibitor Discovery by Virtual Screening. Molecules 2019, 24, 4428.

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