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Article

Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening.

Bioorganic & medicinal chemistry letters - 1 Feb 2018

Zou Fangxia, Pusch Stefan, Hua Jie, Ma Tianfang, Yang Lijun, Zhu Qihua, Xu Yungen, Gu Yueqing, von Deimling Andreas, Zha Xiaoming

Abstract excerpt

IDH1 mutation (mIDH1) occurs in 20-30% of gliomas and is a promising target for the cancer therapy. In this article, a cross docking-based virtual screening was employed to identify seven small molecules for the allosteric site of mIDH1. Compounds ZX01, ZX05 and ZX06 exhibited the potent inhibitory activity and the high selectivity against WT-IDH1, providing a good starting point for the further development of...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

Identifiers

PMID: 29290542
DOI: 10.1016/j.bmcl.2017.12.030

Genes

IDH1

Provenance

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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