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Article

Virtual screening of novel alkaloids as potent inhibitors for G2032R-mutant ROS1 kinase in non-small-cell lung cancer.

Scientific reports - 16 Jan 2026

Cho Shu-Chi, Wang Yi-Wen, Chu Chien-An, Huang Ming-Chih, Lee Chung-Ta

Abstract excerpt

The Gly2032Arg (G2032R) point mutation in proto-oncogene tyrosine-protein kinase 1 (ROS1) is one of the predominant factors of drug resistance to targeted therapies in patients with ROS1 fusion-positive non-small-cell lung cancer (NSCLC). This study aimed to identify novel inhibitors from a library of alkaloids (447 compounds) using computational approaches. Molecular docking-based virtual screening was performed...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 41545687
DOI: 10.1038/s41598-026-36317-4
PMCID: PMC12881507

Genes

ROS1

Variants

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 5 Sept 2026.

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