Sree Latha, R. ; Vijayaraj, R. ; Padmanabhan, J. ; Azhagiya Singam, E. R. ; Chitra, K. ; Subramanian, V. (2013) 3D-QSAR studies on the biological activity of juvenile hormone mimetic compounds for Culex pipiens Larvae Medicinal Chemistry Research, 22 (12). pp. 5948-5960. ISSN 1054-2523
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Official URL: http://link.springer.com/article/10.1007%2Fs00044-...
Related URL: http://dx.doi.org/10.1007/s00044-013-0585-5
Abstract
3D-QSAR modeling of juvenile hormone (JH) mimetic compounds of Culex pipiens (C. pipiens) larvae were analyzed. Comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) were chosen for 3D-QSAR studies. These compounds act as potential insect control agents. The dataset containing 143 JH mimetic compounds considered in this study were divided into a training set of 129 compounds and a test set of 14 compounds. The CoMFA/CoMSIA model is obtained with the statistical significance r2 of 0.944 (0.773) with standard error of estimate of 0.313 (0.616). Both CoMFA and CoMSIA models provide valuable insight into the structural requirements for the enhanced activity of the JH inhibitors.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Springer Verlag. |
| ID Code: | 107199 |
| Deposited On: | 01 Dec 2017 12:34 |
| Last Modified: | 01 Dec 2017 12:34 |
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