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Drug Design of Cyclin-Dependent Kinase 2 Inhibitor for Melanoma from Traditional Chinese Medicine
Joint Authors
Chen, Calvin Yu-Chian
Tang, Hsin-Chieh
Source
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-17, 17 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-06-19
Country of Publication
Egypt
No. of Pages
17
Main Subjects
Abstract EN
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.
American Psychological Association (APA)
Tang, Hsin-Chieh& Chen, Calvin Yu-Chian. 2014. Drug Design of Cyclin-Dependent Kinase 2 Inhibitor for Melanoma from Traditional Chinese Medicine. BioMed Research International،Vol. 2014, no. 2014, pp.1-17.
https://search.emarefa.net/detail/BIM-499065
Modern Language Association (MLA)
Tang, Hsin-Chieh& Chen, Calvin Yu-Chian. Drug Design of Cyclin-Dependent Kinase 2 Inhibitor for Melanoma from Traditional Chinese Medicine. BioMed Research International No. 2014 (2014), pp.1-17.
https://search.emarefa.net/detail/BIM-499065
American Medical Association (AMA)
Tang, Hsin-Chieh& Chen, Calvin Yu-Chian. Drug Design of Cyclin-Dependent Kinase 2 Inhibitor for Melanoma from Traditional Chinese Medicine. BioMed Research International. 2014. Vol. 2014, no. 2014, pp.1-17.
https://search.emarefa.net/detail/BIM-499065
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-499065