Both authors made equal contribution to the work.
3D-QSAR and Molecular Docking Studies on Substituted Isothiazole Analogs as Inhibitors Against MEK-1 Kinase
Version of Record online: 8 NOV 2011
© 2011 John Wiley & Sons A/S
Chemical Biology & Drug Design
Volume 79, Issue 1, pages 84–91, January 2012
How to Cite
Reddy, B. M., Tanneeru, K., Meetei, P. A. and Guruprasad, L. (2012), 3D-QSAR and Molecular Docking Studies on Substituted Isothiazole Analogs as Inhibitors Against MEK-1 Kinase. Chemical Biology & Drug Design, 79: 84–91. doi: 10.1111/j.1747-0285.2011.01250.x
- Issue online: 19 DEC 2011
- Version of Record online: 8 NOV 2011
- Accepted manuscript online: 3 OCT 2011 07:13AM EST
- Received 19 May 2011, revised 5 September 2011 and accepted for publication 17 September 2011
Table S1.The actual pIC50, predicted pIC50 and residual values of molecules both training set and test set of molecules for CoMFA and CoMSIA.
Figure S1. The core part of the training and test set molecules.
Figure S2. Actual versus predicted pIC50 of training and test set molecules for (A) CoMFA and (B) CoMSIA using (steric, electrostatic, hydrophobic and donor fields) 3D-QSAR models.
|CBDD_1250_sm_TableS1.doc||714K||Supporting info item|
|CBDD_1250_sm_Figures_S1-S2.doc||1802K||Supporting info item|
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