Stroke prevention by traditional Chinese medicine? A genetic algorithm, support vector machine and molecular dynamics approach

Soft Matter ◽  
2011 ◽  
Vol 7 (8) ◽  
pp. 4001 ◽  
Author(s):  
Kuan-Chung Chen ◽  
Calvin Yu-Chian Chen
Keyword(s):  
Genetic Algorithm ◽  
Molecular Dynamics ◽  
Support Vector Machine ◽  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
Stroke Prevention ◽  
Support Vector

scholarly journals Drug Design of Cyclin-Dependent Kinase 2 Inhibitor for Melanoma from Traditional Chinese Medicine

2014 ◽  
Vol 2014 ◽  
pp. 1-17 ◽  
Author(s):  
Hsin-Chieh Tang ◽  
Calvin Yu-Chian Chen
Keyword(s):  
Cell Cycle ◽  
Molecular Dynamics ◽  
Support Vector Machine ◽  
Systems Biology ◽  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
Md Simulation ◽  
Support Vector ◽  
Cyclin Dependent Kinase ◽  
Melanoma Therapy

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.

scholarly journals A Novel Method for Evaluating the Cardiotoxicity of Traditional Chinese Medicine Compatibility by Using Support Vector Machine Model Combined with Metabonomics

2016 ◽  
Vol 2016 ◽  
pp. 1-7 ◽  
Author(s):  
Yubo Li ◽  
Haonan Zhou ◽  
Jiabin Xie ◽  
Mayassa Salum Ally ◽  
Zhiguo Hou ◽  
...  
Keyword(s):  
Support Vector Machine ◽  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
Sensitivity And Specificity ◽  
High Sensitivity ◽  
Support Vector ◽  
Machine Model ◽  
Svm Model ◽  
Long Time ◽  
Novel Method

Traditional biochemical and histopathological tests have been used to evaluate the safety of traditional Chinese medicine (TCM) compatibility for a long time. But these methods lack high sensitivity and specificity. In the previous study, we have found ten biomarkers related to cardiotoxicity and established a support vector machine (SVM) prediction model. Results showed a good sensitivity and specificity. Therefore, in this study, we used SVM model combined with metabonomics UPLC/Q-TOF-MS technology to build a rapid and sensitivity and specificity method to predict the cardiotoxicity of TCM compatibility. This study firstly applied SVM model to the prediction of cardiotoxicity in TCM compatibility containingAconiti Lateralis Radix Praeparataand further identified whether the cardiotoxicity increased afterAconiti Lateralis Radix Praeparatacombined with other TCM. This study provides a new idea for studying the evaluation of the cardiotoxicity caused by compatibility of TCM.

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