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African Health Sciences
Makerere University Medical School
ISSN: 1680-6905
EISSN: 1680-6905
Vol. 15, No. 2, 2015, pp. 590-593
Bioline Code: hs15081
Full paper language: English
Document type: Research Article
Document available free of charge

African Health Sciences, Vol. 15, No. 2, 2015, pp. 590-593

 en Drug-drug interation prediction between ketoconazole and anti-liver cancer drug Gomisin G
Liu, Xiaoyang; Ni, Chenming; Li, Chengqing & Liu, Tao


Background: Gomisin G, isolated from herb Schisandra chinensis, exhibits anti-tumor activities. Therefore, Gomisin G is a drug candidate for anti-liver cancer therapy.
Aims: To predict the metabolic behavior and metabolism-based drug-drug interaction of gomisin G.
Methods: Molecular docking method was used. The crystal structure of CYP3A4 with the ligand ketoconazole was chosen from protein data bank ( Chemdraw software was used to draw the two-dimensional structure of gomisin G with standard bond lengths and angles.
Results: Gomisin G can be well docked into the activity site of CYP3A4, and distance between gomisin G the heme active site was 2.75 Å. To evaluate whether the inhibitors of CYP3A4 can affect the metabolism of gomisin G, co-docking of gomisin G and ketoconazole was further performed. The distance between ketoconazole and activity center (2.10 Å) is closer than the distance between gomisin G and activity center of CYP3A4, indicating the easy influence of CYP3A4’s strong inhibitor towards the metabolism of gomisin G.
Conclusion: Gomisin G is a good substrate of CYP3A4, and CYP3A4 inhibitors easily affect the metabolism of Gomisin G.

Gomisin G; CYP3A4; molecular docking

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