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

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Abstract

QSAR Analysis for Antimicrobial Activity Prediction of Di-(Alkyl/Aryl)-Substituted Tin (IV) Metal Complexes Derived from Schiff Bases of Pyridoxal

Author(s): Nidhi Malhotra, Sonika Asija, Samridhi Thakral, Vikramjeet Singh

The present study was undertaken to obtain Quantitative structure activity relationship (QSAR) models for predicting the antimicrobial activity of di-(alkyl/aryl)-substituted Tin (IV) metal complexes derived from Schiff bases of pyridoxal. A data set consisting of 12 di-(alkyl/aryl)-substituted Tin (IV) metal complexes derived from Schiff bases of pyridoxal was subjected to linear free energy regression analysis and QSAR models were obtained for the respective microorganisms. The QSAR analysis revealed that energy of lowest unoccupied molecular orbital (LUMO), valence zero order molecular connectivity index (0χv) and second order molecular connectivity index (2χ) were effectively moderating the antimicrobial activity of di-(alkyl/aryl)-substituted Tin (IV) metal complexes. The derived QSAR models have got excellent predictive power associated with them as evidenced by the low residual values. These models can be utilized for the prediction of antimicrobial activity of similar type of compounds.


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