QSAR Study on Binding Affinity of PATs (Rodenticides) to the [3H]-Mepyramine-Labelled H1 Receptor In Rat and Guinea Pig Brain |
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| Authors: | V K Agrawal S Karmarkar P V Khadikar |
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| Institution: | 1. Department of Chemistry , A.P.S. University , Rewa, 486 003, India;2. Research Division , Laxmi Pest and Fumigation Pvt. Ltd. , 3, Khatipura, Indore, 452 007, India |
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| Abstract: | Abstract The binding of a series of PAT analogues (rodenticides) to the 3H]-mepyramine-labelled H1 receptor in rat and guinea pig brain was investigated topologically using negentropy (N), molecular redundancy (MRI), first-order molecular connectivity (1X v ), Wiener (W), and Szeged (Sz) indices. Multiple regression analyses showed that MRI provided excellent results upon introduction of indicator parameters. Predictive ability of the proposed models was discussed using cross-validation parameters. |
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| Keywords: | Topological modelling Binding in rat and guinea pig H1 receptors QSAR 1-Phenyl-3-aminotetralines Wiener index Szeged index Regression analysis |
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