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Authors: Eduardo Campos dos Santos 1 ; Braulio Roberto Gonçalves Marinho Couto 2 ; Marcos A. dos Santos 3 and Julio Cesar Dias Lopes 3

Affiliations: 1 Instituto de Ciências Biológicas and Universidade Federal de Minas Gerais / UFMG, Brazil ; 2 Centro Universitário de Belo Horizonte / UNI-BH, Brazil ; 3 UFMG, Brazil

ISBN: 978-989-8425-90-4

Keyword(s): Human drug target, Logistic regression, Case-control study, Prediction models.

Related Ontology Subjects/Areas/Topics: Algorithms and Software Tools ; Bioinformatics ; Biomedical Engineering ; Pharmaceutical Applications

Abstract: Drug target identification and validation are critical steps in the drug discovery pipeline. Hence, predicting potential “druggable targets”, or targets that can be modulated by some drug, is very relevant to drug discovery. Approaches using structural bioinformatics to predict “druggable domains” have been proposed, but they have only been applied to proteins that have solved structures or that have a reliable model predicted by homology. We show that available protein annotation terms may be used to explore semantic-based measures to provide target similarity searching and develop a tool for potential drug target prediction. We analysed 1,541 human protein drug targets and 29,580 human proteins not validated as drug targets but which share some InterPro annotations with a known drug target. We developed a semantic-based similarity measure by using singular value decomposition over InterPro terms associated with drug targets, performed statistical analyses and built logistic regressi on models. We present a probabilistic model summarised in a closed mathematical formula that allows human protein drug targets to be predicted with a sensitivity of 89% and a specificity of 67%. (More)

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Paper citation in several formats:
Campos dos Santos, E.; Gonçalves Marinho Couto, B.; A. dos Santos, M. and Dias Lopes, J. (2012). PREDICTING NEW HUMAN DRUG TARGETS BY USING FEATURE SELECTION TECHNIQUES.In Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - Volume 1: BIOINFORMATICS, (BIOSTEC 2012) ISBN 978-989-8425-90-4, pages 137-142. DOI: 10.5220/0003734501370142

@conference{bioinformatics12,
author={Eduardo Campos dos Santos. and Braulio Roberto Gon\c{C}alves Marinho Couto. and Marcos A. dos Santos. and Julio Cesar Dias Lopes.},
title={PREDICTING NEW HUMAN DRUG TARGETS BY USING FEATURE SELECTION TECHNIQUES},
booktitle={Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - Volume 1: BIOINFORMATICS, (BIOSTEC 2012)},
year={2012},
pages={137-142},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0003734501370142},
isbn={978-989-8425-90-4},
}

TY - CONF

JO - Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - Volume 1: BIOINFORMATICS, (BIOSTEC 2012)
TI - PREDICTING NEW HUMAN DRUG TARGETS BY USING FEATURE SELECTION TECHNIQUES
SN - 978-989-8425-90-4
AU - Campos dos Santos, E.
AU - Gonçalves Marinho Couto, B.
AU - A. dos Santos, M.
AU - Dias Lopes, J.
PY - 2012
SP - 137
EP - 142
DO - 10.5220/0003734501370142

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