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Quantitative Structure-activity Relationship


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ITOe | 2017 | ISBN: 9535134108 9535134094 9789535134091 9789535134107 | 78 Pages | PDF | 14 MB

This volume is related to Quantitative Structure-activity Relationship (QSAR) in sciences

The book is divided into five main chapters.
The first chapter is the Introductory chapter. The second chapter aims to provide an update of the recent advances in the field of rational design of PDE inhibitors. The third chapter includes designing a series of peptidic inhibitors that possessed a substrate transition-state analog and evaluating the structure-activity relationship of the designed inhibitors, based on docking and scoring, using the docking simulation software Molecular Operating Environment. The aim of the forth chapter is to develop structure-property relationships for the qualitative and quantitative prediction of the reverse-phase liquid chromatographic retention times of chlorogenic acids. The final chapter aims to determine the model of interactions between the natural compounds with anti-inflammatory molecular target by molecular docking analysis.

Contents
1 Introductory Chapter: Some Quantitative Structure Activity Relationship Descriptor
2 Computational Approaches in the Development of Phosphodiesterase Inhibitors
3 Discovery of BACE1 Inhibitors for the Treatment of Alzheimer's Disease
4 QSRP Prediction of Retention Times of Chlorogenic Acids in Coffee by Bioplastic Evolution
5 Molecular Docking Analysis: Interaction Studies of Natural Compounds to Anti-inflammatory Targets
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