QSAR Analysis of 3- and 4-substituted 7-hydroxycoumarins as Novel 17ÃÂ²-HSD3 InhibitorsMukesh C Sharma*
School of Pharmacy, Devi Ahilya University, Takshila Campus, Khandwa Road, Indore (M.P.) 452 001 India
- *Corresponding Author:
- Mukesh C Sharma
School of Pharmacy, Devi Ahilya University
Takshila Campus, Khandwa Road, Indore (M.P.) 452 001 India
E-mail: [email protected]
Received date: November 08, 2012; Accepted date: December 17, 2012; Published date: December 19, 2012
Citation: Mukesh C Sharma (2015) QSAR Analysis of 3- and 4-substituted 7-hydroxycoumarins as Novel 17ß-HSD3 Inhibitors. Chemotherapy 4:148. doi:10.4172/2167-7700.1000148
Copyright: © 2015 Sharma M, This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
A series of 3- and 4-substituted 7-hydroxycoumarins analogues were analyzed for structure–activity relationship using sphere exclusion algorithm method. The QSAR studies were analyzed and the structural features contributing to the enhancement of activity were identified. 2D-QSAR statistically significant model with coefficient of determination (r2) of 0.8291 and cross validated correlation coefficient (q2) of 0.7455. The 2D-QSAR results revealed that that the presence of chloro or fluoro substituents would increase the 17β-HSD3 inhibitory activity and presence of bulky electron withdrawing groups at R1 and R2 position of ring would increases the 17β-HSD3 inhibitory activity. Based on the results obtained from these analysis some compounds were designed which show enhancement in activity compared to the parent compound.