Spectroscopic studies and molecular docking on the interaction of organotin antitumor compound bis[2,4-difluoro-N-(hydroxy-⟨κ⟩O)benzamidato-⟨κ⟩O]diphenyltin(IV) with human cytochrome P450 3A4 protease
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- 作者：Ying Wei1 ; Lin Niu ; Xinxin Liu ; Hongyan Zhou ; Hongzhou Dong ; Depeng Kong ; Yunlan Li ; 1 ; liyunlanrr@163.com" class="auth_mail" title="E-mail the corresponding author ; Qingshan Li ; qingshanl@yahoo.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Organotin compound ; CYP3A4 ; Interaction ; Spectroscopic study ; Molecular docking
- 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
- 出版年：2016
- 出版时间：15 June 2016
- 年：2016
- 卷：163
- 期：Complete
- 页码：154-161
- 全文大小：1027 K
文摘
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We investigated the relationship between the DFDPT and human CYP3A4 proteaset.
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Fluorescence spectroscopy, circular dichroism and molecular docking were used.
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The binding mechanisms and the conformation changes were identified.
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We found the predicted binding mode of DFDPT into CYP3A4.