Saxena, Anil K. ; Ram, Siya ; Saxena, Mridula ; Singh, Nidhi ; Prathipati, Philip ; Jain, Padam C. ; Singh, H. K. ; Anand, Nitya (2003) QSAR studies in substituted 1,2,3,4,6,7,12,12a-octa-hydropyrazino[2',1':6,1]pyrido[3,4-b]indoles-a potent class of neuroleptics Bioorganic & Medicinal Chemistry, 11 (9). pp. 2085-2090. ISSN 0968-0896
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/S09680...
Related URL: http://dx.doi.org/10.1016/S0968-0896(02)00652-1
Abstract
A series of nineteen substituted 1,2,3,4,6,7,12,12a-octahydropyrazino[2',1':6,1]pyrido[3, 4-b]indoles analogues of neuroleptic drug, Centbutindole have been studied using quantitative structure-activity relationship analysis. The derived models display good fits to the experimental data (r>or=0.75) having good predictive power (rcv>or=0.688). The best model describes a high correlation between predicted and experimental activity data (r=0.967). Statistical analysis of the equation populations indicates that hydrophobicity (as measured by πR, logP(o/w) and SlogP_VSA8), dipole y and structural parameters in terms of indicator variable, (In1) and globularity are important variables in describing the variation in the neuroleptic activity in the series.
Item Type: | Article |
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Source: | Copyright of this article belongs to Elsevier Science. |
ID Code: | 3898 |
Deposited On: | 18 Oct 2010 09:29 |
Last Modified: | 03 Jan 2011 11:38 |
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