A Combined Molecular Docking/Dynamics Approach to Probe the Binding Mode of Cancer Drugs with Cytochrome P450 3A4

A Combined Molecular Docking/Dynamics Approach to Probe the Binding Mode of Cancer Drugs with Cytochrome P450 3A4

Cytarabine, daunorubicin, doxorubicin and vincristine are clinically used for combinatorial therapies of cancers in different combinations. However, the knowledge about the interaction of these drugs with the metabolizing enzyme cytochrome P450 is limited. Therefore, we utilized computational method...

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Bibliographic Details
Main Authors: Suresh Panneerselvam, Dhanusha Yesudhas, Prasannavenkatesh Durai, Muhammad Ayaz Anwar, Vijayakumar Gosu, Sangdun Choi
Format: Article
Language:English
Published: MDPI AG 2015-08-01
Series:Molecules
Subjects:
CYP450
drug metabolism
docking
molecular dynamics simulation
Online Access:http://www.mdpi.com/1420-3049/20/8/14915

Internet

http://www.mdpi.com/1420-3049/20/8/14915

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