Modeling of Sulmazole analogues as cardiotonic agents | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X
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Modeling of Sulmazole analogues as cardiotonic agents

Author(s): Teena Pareeka, Amrit V. Bajaja and Dheeraj Mandloib

Quantitative Structure-Activity Relationship (QSAR) studies on a series of 16 Sulmazole analogues have been reported in this paper. The study has been made utilizing Topological indices and Connectivity indices. The results have been critically discussed using different statistical parameters. Six estimated models were obtained, out of which the bi-parametric model has been considered to be the best. The robustness of the best estimated model has been evaluated using ridge regression which indicated that multicollinearity is not a problem in this model. Our results indicate that with the decrease in the value of third order valency connectivity index and with the increase in the value of Balaban index G, cardiotonic activity [log (I/IC50)] increases. The values of statistical parameters obtained are: R2 = 0.7049, R2A = 0.6312, CV = 0.0460, F-ratio = 9.556


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