胡椒碱-铁络合物与人细胞色素P450 3A4的对接研究。
Docking studies of piperine - iron conjugate with human CYP450 3A4.
作者信息
Alugolu Veerabrahmam, Rentala Satyanarayana, Komarraju Aruna Lakshmi, Parimi Uma Devi
机构信息
Department of Microbiology, GITAM Institute of Science, GITAM University, Rushikonda, Visakhapatnam - 530 045, INDIA.
出版信息
Bioinformation. 2013 Apr 13;9(7):334-8. doi: 10.6026/97320630009334. Print 2013.
Piperine, a major constituent of Piper nigrum (Black pepper), is one of the well known components in many Ayurvedic formulations. Piperine is most studied bioenhancer because it inhibits drug metabolizing enzymes in rodents and increases plasma concentrations of several drugs, including P-glycoprotein substrates. However, there areno evidences on piperine-iron conjugate to inhibit human CYP450 3A4. We therefore investigated the influence of piperine-Fe conjugate to study the metabolism of iron with CYP450 3A4. Our in silico results showed that Piperine when conjugated with iron, inhibited activity of CYP450 3A4. This improved the binding of piperine-Fe conjugate with CYP450 3A4 and increased bioavailability.
胡椒碱是胡椒（黑胡椒）的主要成分之一，是许多阿育吠陀配方中广为人知的成分。胡椒碱是研究最多的生物增强剂，因为它能抑制啮齿动物体内的药物代谢酶，并提高包括P-糖蛋白底物在内的几种药物的血浆浓度。然而，没有证据表明胡椒碱-铁共轭物能抑制人类细胞色素P450 3A4。因此，我们研究了胡椒碱-铁共轭物对铁与细胞色素P450 3A4代谢的影响。我们的计算机模拟结果表明，胡椒碱与铁结合时，会抑制细胞色素P450 3A4的活性。这改善了胡椒碱-铁共轭物与细胞色素P450 3A4的结合，并提高了生物利用度。
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