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 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.
Keywords: Anaerobic bacteria, molecular topology, multi-target QSAR.
Current Computer-Aided Drug Design
Title:QSAR Multi-Target in Drug Discovery: A Review
Volume: 10 Issue: 2
Author(s): Riccardo Zanni, María Galvez-Llompart, Jorge Galvez and Ramon García-Domenech
Affiliation:
Keywords: Anaerobic bacteria, molecular topology, multi-target QSAR.
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 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.
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Cite this article as:
Zanni Riccardo, Galvez-Llompart María, Galvez Jorge and García-Domenech Ramon, QSAR Multi-Target in Drug Discovery: A Review, Current Computer-Aided Drug Design 2014; 10 (2) . https://dx.doi.org/10.2174/157340991002140708105124
DOI https://dx.doi.org/10.2174/157340991002140708105124 |
Print ISSN 1573-4099 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6697 |
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