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

Comparative Dynamics and Functional Mechanisms of the CYP17A1 Tunnels Regulated by Ligand Binding.

Journal of chemical information and modeling - 27 Jul 2020

Xiao Fei, Song Xingyu, Tian Peiyi, Gan Mi, Verkhivker Gennady M, Hu Guang

Abstract excerpt

As an important member of cytochrome P450 (CYP) enzymes, CYP17A1 is a dual-function monooxygenase with a critical role in the synthesis of many human steroid hormones, making it an attractive therapeutic target. The emerging structural information about CYP17A1 and the growing number of inhibitors for these enzymes call for a systematic strategy to delineate and classify mechanisms of ligand transport through...

Read the complete abstract on PubMed

Topics

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

Share to Ligands
Share to Molecular Dynamics Simulation

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Mutation

Share to Protein Binding

Share to Steroid 17-alpha-Hydroxylase

Source

Identifiers

PMID: 32530640
DOI: 10.1021/acs.jcim.0c00447

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.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Comparative Dynamics and Functional Mechanisms of the CYP17A1 Tunnels Regulated by Ligand Binding.PMID 32530640Read ↗

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

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

Molecular dynamics of CYP2D6 polymorphisms in the absence and presence of a mechanism-based inactivator reveals changes in local flexibility and dominant substrate access channels.Semantic proximity Read ↗

Insights into the structure and function of the human organic anion transporter 1 in lipid bilayer membranesSemantic proximity Read ↗

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

Identifying cytochrome p450 functional networks and their allosteric regulatory elements.Semantic proximity Read ↗

Substrate binding and lipid-mediated allostery in the human organic anion transporter 1 at the atomic-scaleSemantic proximity Read ↗

A theoretical study on the mechanism of a superficial mutation inhibiting the enzymatic activity of CYP1A2.Semantic proximity Read ↗

Molecular Modeling of Human P450c17 (17 -Hydroxylase/ 17,20-Lyase): Insights into Reaction Mechanisms and Effects of MutationsSemantic proximity Read ↗

Modeling androgen receptor flexibility: a binding mode hypothesis of CYP17 inhibitors/antiandrogens for prostate cancer therapy.Semantic proximity Read ↗

Impact of peripheral mutations on the access channels of human cytochrome P450 1A2Semantic proximity Read ↗

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

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