Drug Design of Cyclin-Dependent Kinase 2 Inhibitor for Melanoma from Traditional Chinese MedicineReport as inadecuate




Drug Design of Cyclin-Dependent Kinase 2 Inhibitor for Melanoma from Traditional Chinese Medicine - Download this document for free, or read online. Document in PDF available to download.

BioMed Research InternationalVolume 2014 2014, Article ID 798742, 17 pages

Research Article

Department of Biomedical Informatics, Asia University, Taichung 41354, Taiwan

Department of Medicine, China Medical University, Taichung 40402, Taiwan

Research Center for Chinese Medicine and Acupuncture, China Medical University, Taichung 40402, Taiwan

Human Genetic Center, Department of Medical Research, China Medical University Hospital, Taichung 40447, Taiwan

Received 21 February 2014; Revised 5 March 2014; Accepted 5 March 2014; Published 19 June 2014

Academic Editor: Chung Y. Hsu

Copyright © 2014 Hsin-Chieh Tang and Calvin Yu-Chian Chen. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

One has found an important cell cycle controller. This guard can decide the cell cycle toward proliferation or quiescence. Cyclin-dependent kinase 2 CDK2 is a unique target among the CDK family in melanoma therapy. We attempted to find out TCM compounds from TCM Database@Taiwan that have the ability to inhibit the activity of CDK2 by systems biology. We selected Tetrahydropalmatine, Reserpiline, and +-Corydaline as the candidates by docking and screening results for further survey. We utilized support vector machine SVM, multiple linear regression MLR models and Bayesian network for validation of predicted activity. By overall analysis of docking results, predicted activity, and molecular dynamics MD simulation, we could conclude that Tetrahydropalmatine, Reserpiline, and +-Corydaline had better binding affinity than the control. All of them had the ability to inhibit the activity of CDK2 and might have the opportunity to be applied in melanoma therapy.





Author: Hsin-Chieh Tang and Calvin Yu-Chian Chen

Source: https://www.hindawi.com/



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