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http://hdl.handle.net/20.500.12358/26284
TitleA Density Functional Based Molecular Surface Electrostatic Potentials of Histamine H1-Agonists
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Abstract

A computational analysis of the electrostatic potentials of nine histamine H1 agonists of various structural modifications has been carried out at the density functional B3P86/6-31G** level of theory. It focuses upon the relationships between these potentials and the H1-agonistic activities of the molecules through identifying any common features. Analysis of several statistically based properties of the surface potentials has revealed that H1-Agonism is a linear function with of the potential’s maxima, max, S

Authors
Abu-Awwad, Fakhr M.
Mkadmh, Ahmed
TypeJournal Article
Date2009
Published inInternational Journal of ChemTech Research
SeriesVol. 1, Issue. 4
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The institutional repository of the Islamic University of Gaza was established as part of the ROMOR project that has been co-funded with support from the European Commission under the ERASMUS + European programme. This publication reflects the views only of the author, and the Commission cannot be held responsible for any use which may be made of the information contained therein.

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The institutional repository of the Islamic University of Gaza was established as part of the ROMOR project that has been co-funded with support from the European Commission under the ERASMUS + European programme. This publication reflects the views only of the author, and the Commission cannot be held responsible for any use which may be made of the information contained therein.

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