ArticleEuropean journal of drug metabolism and pharmacokinetics2015
Molecular docking to understand the metabolic behavior of GNF-351 by CYP3A4 and its potential drug-drug interaction with ketoconazole.
Article in European journal of drug metabolism and pharmacokinetics, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed, 18 citations in OpenAlex.
- Article
- Synthesis of Spin-Labelled Bergamottin: A Potent CYP3A4 Inhibitor with Antiproliferative Activity.International journal of molecular sciences · 2020Article
- Article
- In vitro inhibitory effects of Friedelin on human liver cytochrome P450 enzymes.Pharmaceutical biology · 2018Article
- In vitro inhibitory effects of bergenin on human liver cytochrome P450 enzymes.Pharmaceutical biology · 2018Article
- Inhibitory Effects of Triptolide on Human Liver Cytochrome P450 Enzymes and P-Glycoprotein.European journal of drug metabolism and pharmacokinetics · 2017Article
- Metabolic behavior prediction of pazopanib by cytochrome P450 (CYP) 3A4 by molecular docking.European journal of drug metabolism and pharmacokinetics · 2016Article
- Drug-drug interation prediction between ketoconazole and anti-liver cancer drug Gomisin G.African health sciences · 2015Article
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Authors and funding
4 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
GNF-351 is a candidate drug used to treat some diseases through antagonizing aryl hydrocarbon receptor. In the present study, molecular docking method was employed to understand the interaction between ketoconazole and GNF-351. The structure of cytochrome P450 (CYP) 3A4 was obtained from protein data bank, and 2-dimensional structure of GNF-351 with standard bond lengths and angles was drawn using chemdraw software. 30 possible binding orientations was generated and docked into the X-ray crystallographic structure of human CYP3A4. The predicted binding mode of GNF-351 into CYP3A4 appeared to adopt an orientation with interactions between their flat aromatic rings and Phe 302 and Phe 304. The comparison for the binding of GNF-351 and ketoconazole into the activity cavity indicated that they exhibited similar distance towards heme, indicating the potential interaction between GNF-351 and ketoconazole. These data remind us the necessary monitoring when future utilization between GNF-351 and ketoconazole.
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