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Article

Insights into the drug resistance induced by the BaDHPS mutations: molecular dynamic simulations and MM/GBSA studies.

Journal of biomolecular structure & dynamics - 1 Oct 2013

Chu Wen-Ting, Zhang Ji-Long, Zheng Qing-Chuan, Chen Lin, Xue Qiao, Zhang Hong-Xing

Abstract excerpt

Dihydropteroate synthase (DHPS) is essential for the folic acid biosynthetic pathway in prokaryotes; the mutation forms for DHPS are found to be relative to the urgent drug resistance problems. In our study, the Bacillus anthracis DHPS (BaDHPS) was selected for molecular dynamics and binding free energy studies to investigate the biochemistry behaviors of the wild-type and mutation form BaDHPS proteins (D184N and...

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Source

Identifiers

PMID: 23030549
DOI: 10.1080/07391102.2012.726529

Genes

DHPS

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 6 Sept 2026. Manifest publication-graph-cohort-2026-09-06.1.

Source receipt: pubmed, retrieved 6 Sept 2026.

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