6533b85bfe1ef96bd12bacde
RESEARCH PRODUCT
QSAR multi-target in drug discovery: a review.
Maria Galvez-llompartJorge GalvezRiccardo ZanniRamón García-domenechsubject
Quantitative structure–activity relationshipDrug discoveryQuantitative Structure-Activity RelationshipGeneral MedicineComputational biologyBiologyBioinformaticsMulti targetDrug DiscoverySingle equationMolecular MedicineAnimalsHumansAnaerobic bacteriaMolecular Targeted TherapyAlgorithmsProbabilitydescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-09-13 | Current computer-aided drug design |