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Article

Polypharmacological Drug Design Guided by Integrating Phenotypic and Restricted Fragment Docking Strategies.

Journal of medicinal chemistry - 12 Dec 2024

Li Shang, Li Xinxin, Ma Liangliang, Luo Zhongwen, Yin Fucheng, Zhang Yonglei, Chen Yifan, Wan Siyuan, Zhou Han, Wang Xiaobing, Kong Lingyi

Abstract excerpt

Polypharmacological drugs are of great value for treating complex human diseases by the combinative modulation of several biological targets. However, multitarget drug design with more than two targets is challenging and generally discovered by serendipity. Herein, a restricted fragment docking (RFD) computational method combined with a phenotypic discovery approach was developed for rational polypharmacological...

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Identifiers

PMID: 39300597
DOI: 10.1021/acs.jmedchem.4c01731

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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