Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Molecular determinants of xenobiotic metabolism: QM/MM simulation of the conversion of 1-chloro-2,4-dinitrobenzene catalyzed by M1-1 glutathione S-transferase.

Biochemistry - 29 May 2007

Bowman Anna L, Ridder Lars, Rietjens Ivonne M C M, Vervoort Jacques, Mulholland Adrian J

Abstract excerpt

Modeling methods allow the identification and analysis of determinants of reactivity and specificity in enzymes. The reaction between glutathione and 1-chloro-2,4-dinitrobenzene (CDNB) is widely used as a standard activity assay for glutathione S-transferases (GSTs). It is important to understand the causes of differences between catalytic GST isoenzymes and the effects of mutations and genetic polymorphisms....

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Catalysis
Share to Computer Simulation

Methodology Data sources Editorial policy Privacy Delete account & data About Contact Helena Bioinformatics

Share to Glutathione Transferase

Share to Models, Molecular

Share to Mutation

Share to Xenobiotics

Source

Identifiers

PMID: 17480056
DOI: 10.1021/bi0622827

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence. Graph snapshot: 2026-09-29.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Molecular determinants of xenobiotic metabolism: QM/MM simulation of the conversion of 1-chloro-2,4-dinitrobenzene catalyzed by M1-1 glutathione S-transferase.PMID 17480056Read ↗

Quantum mechanical/molecular mechanical free energy simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide.Semantic proximity Read ↗

The essential role of GSTP1 I105V polymorphism in the prediction of CDNB metabolism and toxicity: In silico and in vitro insights.Semantic proximity Read ↗

Structural and Dynamic Characterizations Highlight the Deleterious Role of SULT1A1 R213H Polymorphism in Substrate Binding.Semantic proximity Read ↗

Molecular insights into the role of a distal F240A mutation that alters CYP1A1 activity towards persistent organic pollutants.Semantic proximity Read ↗

Molecular dynamic investigations of the mutational effects on structural characteristics and tunnel geometry in CYP17A1.Semantic proximity Read ↗

Stability of the domain interface contributes towards the catalytic function at the H-site of class alpha glutathione transferase A1-1.Semantic proximity Read ↗

Energy landscape of a GSTP1 polymorph linked with cytological function decay in response to chemical stressors.Semantic proximity Read ↗

Enzymatic detoxication, conformational selection, and the role of molten globule active sites.Semantic proximity Read ↗

Investigating the interaction between organic anion transporter 1 and ochratoxin A: An in silico structural study to depict early molecular events of substrate recruitment and the impact of single point mutations.Semantic proximity Read ↗

Human polymorphisms in the glutathione transferase zeta 1/maleylacetoacetate isomerase gene influence the toxicokinetics of dichloroacetate.Semantic proximity Read ↗

Long-range effects of a peripheral mutation on the enzymatic activity of cytochrome P450 1A2.Semantic proximity Read ↗

Theoretical approach to the innovative mutation of naphthalene 1,2-dioxygenase: a molecular dynamics and docking study.Semantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.