Quantum-chemical descriptors in QSAR/QSPR studies

Article Abstract:

Molecular descriptors have a variety of application in making quantitative structure-activity/property relationships (QSAR/QSPR) in various areas of chemistry. These descriptors useful in analyzing the in determining the molecular property or the chemical process by characterizing intra- and inter-molecular interaction mechanisms. They can be readily applied as quantum chemical descriptors in theoretical computations.

Chemistry, Analytic, Intermolecular forces, Chemical structure, Quantitative chemical analysis

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Comparative quantitative structure-activity relationship studies (QSAR) on non-benzodiazepine compounds binding to benzodiaepine receptor (BZR)

Article Abstract:

A new quantitative structure-activity relationship (QSAR) examination on benzodiazepine compounds(BDZs) to gamma-aminobutyric acid receptor (GABA)/ benzodiazepine receptor (BZR) is presented. The study states that for different kinds of benzodiazepine receptor (BZR) ligands, certain crucial features in each kind of ligands is featured, without which they would not be able to interact with the receptor at all.

Benzodiazepines, GABA, Structure, GABA receptors

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Nonsteroidal anti-inflammatory drugs (NSAIDs): A comparative QSAR study

Article Abstract:

The analysis of QSAR is presented in an attempt to organize the knowledge about the anti-inflammatory agents. Since inflammation is a complex phenomenon involving interrelationships between humoral and cellular reactions through a number of inflammatory mediators, there is not much evidence on QSAR studies.

United States, Nonsteroidal anti-inflammatory drugs, Nonsteroidal anti-inflammatory agents

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