A Review: QSAR Multi-target in Drug Discovery

ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)


Volume 10, 4 Issues, 2014


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Current Computer-Aided Drug Design

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Editor-in-Chief:
Subhash C. Basak
Departments of Chemistry, Biochemistry & Molecular Biology University of Minnesota Duluth
Duluth, MN 55811
USA


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A Review: QSAR Multi-target in Drug Discovery

Author(s): Riccardo Zanni, María Gálvez-Llompart, Jorge Gálvez and Ramón García-Domenech

Affiliation: Molecular Connectivity and Drug Design Research Unit, Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Avda. V.A. Estellés, s/n, 46100 Burjassot, Valencia, Spain

Abstract

The main purpose of the present review is to summarize the most significant works up to date in the field of multi-target QSAR (mt-QSAR), in order to emphasize the importance that this technique has acquired over the last decade. Unlike traditional QSAR techniques, mt-QSAR permits to calculate the probability of activity of a given compound against different biological or pharmacological targets. In simple terms, a single equation for multiple outputs. To emphasize more the importance of the mt-QSAR in drug discovery, we also present a novel mt-QSAR model, made ad hoc by our research group, for prediction of susceptibility of Gram + and Gram – anaerobic bacteria


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Article Details

Volume: 10
First Page: 1
Page Count: 1
DOI: 10.2174/1573409910666140410105530
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