Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking

Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking

DNA repair enzyme O6-methylguanine-DNA methyltransferase (MGMT), which plays an important role in inducing drug resistance against alkylating agents that modify the O6 position of guanine in DNA, is an attractive target for anti-tumor chemotherapy. A series of MGMT inhibitors have been synthesized o...

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Bibliographic Details
Main Authors: Guohui Sun, Tengjiao Fan, Na Zhang, Ting Ren, Lijiao Zhao, Rugang Zhong
Format: Article
Language:English
Published: MDPI AG 2016-06-01
Series:Molecules
Subjects:
MGMT
inhibitors
3D-QSAR
CoMFA
CoMSIA
docking
Online Access:http://www.mdpi.com/1420-3049/21/7/823

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