QSAR Multi-Target in Drug Discovery: A Review

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

Volume 13, 4 Issues, 2017

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Current Computer-Aided Drug Design

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Subhash C. Basak
University of Minnesota Duluth
Duluth, MN

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QSAR Multi-Target in Drug Discovery: A Review

Current Computer-Aided Drug Design, 10(2): 129-136.

Author(s): Riccardo Zanni, María Galvez-Llompart, Jorge Galvez and Ramon 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.


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 the field of drug discovery, we also present a novel mt-QSAR model, made on purpose by our research group, for the prediction of the susceptibility of Gram + and Gram – anaerobic bacteria.


Anaerobic bacteria, molecular topology, multi-target QSAR.

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Article Details

Volume: 10
Issue Number: 2
First Page: 129
Last Page: 136
Page Count: 8
DOI: 10.2174/157340991002140708105124
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