QSAR Multi-Target in Drug Discovery: A Review

Author(s): Riccardo Zanni, María Galvez-Llompart, Jorge Galvez, Ramon García-Domenech

Journal Name: Current Computer-Aided Drug Design

Volume 10 , Issue 2 , 2014

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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.

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Article Details

Year: 2014
Page: [129 - 136]
Pages: 8
DOI: 10.2174/157340991002140708105124
Price: $65

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PDF: 66