{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,2]],"date-time":"2026-10-02T12:51:10Z","timestamp":1790945470424,"version":"4.1.0"},"reference-count":126,"publisher":"Oxford University Press (OUP)","issue":"3","license":[{"start":{"date-parts":[[2012,1,10]],"date-time":"2012-01-10T00:00:00Z","timestamp":1326153600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/pages\/standard-publication-reuse-rights"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2012,1,10]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Lipid-Binding Proteins (LIBPs) or Fatty Acid-Binding Proteins (FABPs) play an important role in many diseases such as different types of cancer, kidney injury, atherosclerosis, diabetes, intestinal ischemia and parasitic infections. Thus, the computational methods that can predict LIBPs based on 3D structure parameters became a goal of major importance for drug-target discovery, vaccine design and biomarker selection. In addition, the Protein Data Bank (PDB) contains 3000+ protein 3D structures with unknown function. This list, as well as new experimental outcomes in proteomics research, is a very interesting source to discover relevant proteins, including LIBPs. However, to the best of our knowledge, there are no general models to predict new LIBPs based on 3D structures. We developed new Quantitative Structure\u2013Activity Relationship (QSAR) models based on 3D electrostatic parameters of 1801 different proteins, including 801 LIBPs. We calculated these electrostatic parameters with the MARCH-INSIDE software and they correspond to the entire protein or to specific protein regions named core, inner, middle, and surface. We used these parameters as inputs to develop a simple Linear Discriminant Analysis (LDA) classifier to discriminate 3D structure of LIBPs from other proteins. We implemented this predictor in the web server named LIBP-Pred, freely available at http:\/\/miaja.tic.udc.es\/Bio-AIMS\/LIBPpred.php, along with other important web servers of the Bio-AIMS portal. The users can carry out an automatic retrieval of protein structures from PDB or upload their custom protein structural models from their disk created with LOMETS server. We demonstrated the PDB mining option performing a predictive study of 2000+ proteins with unknown function. Interesting results regarding the discovery of new Cancer Biomarkers in humans or drug targets in parasites have been discussed here in this sense.<\/jats:p>\n                  <jats:p\/>","DOI":"10.1039\/c2mb05432a","type":"journal-article","created":{"date-parts":[[2012,1,10]],"date-time":"2012-01-10T11:11:53Z","timestamp":1326193913000},"page":"851-862","source":"Crossref","is-referenced-by-count":17,"title":["LIBP-Pred: web server for lipid bindingproteins using structural network parameters; PDB mining of human cancer biomarkers and drug targets in parasites and bacteria"],"prefix":"10.1093","volume":"8","author":[{"given":"Humberto","family":"Gonz\u00e1lez-D\u00edaz","sequence":"first","affiliation":[{"name":"Department of Microbiology & Parasitology, Faculty of Pharmacy, University of Santiago de Compostela, Praza Seminario de Estudos Galegos a , s\/n. Campus Sur, 15782 Santiago de Compostela Spain \u00a0 gonzalezdiazh@yahoo.es"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cristian R","family":"Munteanu","sequence":"additional","affiliation":[{"name":"Department of Information and Communication Technologies, Computer Science Faculty, University of A Coru\u00f1a b , 15071 A Coru\u00f1a, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lucian","family":"Postelnicu","sequence":"additional","affiliation":[{"name":"S.C. POLIPHARMA INDUSTRIES S.R.L. c , 550052 Sibiu, Romania"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Francisco","family":"Prado-Prado","sequence":"additional","affiliation":[{"name":"Department of Organic Chemistry, University of Santiago de Compostela d , 15782 Santiago de Compostela, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marcos","family":"Gestal","sequence":"additional","affiliation":[{"name":"Department of Information and Communication Technologies, Computer Science Faculty, University of A Coru\u00f1a b , 15071 A Coru\u00f1a, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alejandro","family":"Pazos","sequence":"additional","affiliation":[{"name":"Department of Information and Communication Technologies, Computer Science Faculty, University of A Coru\u00f1a b , 15071 A Coru\u00f1a, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2012,1,10]]},"reference":[{"issue":"Suppl","key":"2026012913033061600_cit1","doi-asserted-by":"crossref","first-page":"S126","DOI":"10.1194\/jlr.R800084-JLR200","volume":"50","author":"Storch","year":"2009","journal-title":"J. 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