The Translational Informatics Division, newly formed in the Department of Internal Medicine, is based on Faculty and Staff from the Division of Biocomputing (Department of Biochemistry & Molecular Biology), which has been dissolved. We will be moving to the Innovation Discovery & Training Complex (Building 289) this summer.
A Competitive Nucleotide Binding Inhibitor: In Vitro Characterization of Rab7 GTPase Inhibition, Agola JO, Hong L, Surviladze Z, Ursu O, Waller A, Strouse JJ, Simpson DS, Schroeder CE, Oprea TI, Golden JE, Aubé J, Buranda T, Sklar LA, Wandinger-Ness A, ACS Chem Biol. 2012 Apr 23.
A non-peptide receptor inhibitor with selectivity for one of the neutrophil formyl peptide receptors, FPR 1, Cevik-Aras H, Kalderén C, Jenmalm Jensen A, Oprea T, Dahlgren C, Forsman H, Biochem Pharmacol. 2012 Jun 15;83(12):1655-62.
UNM Drug Discovery Day: From Molecules to Translational Research, a one-day conference co-organized by the UNM Center for Molecular Discovery, UNM Cancer Center, and the Division of Biocomputing, Monday, April 30. Domenici Center Auditorium, 8am-11:30am, Cancer Center Auditorium, 12noon-5pm. For list of speakers and program click here.
UNM Biocomputing CARLSBAD Project presented at the "Systems Chemical Biology" CINF session at ACS National Meeting in San Diego, organized by Jan Kuras and Tudor Oprea, March 27.
Of possible cheminformatics futures, Tudor I. Oprea, Olivier Taboureau and Cristian G. Bologa, Journal of Computer-Aided Molecular Design, Published online: 30 December 2011, ISSN 0920-654X, doi:10.1007/s10822-011-9535-9.
Improving the Prediction of the Brain Disposition for Orally Administered Drugs Using BDDCS, Fabio Broccatelli, Caroline A. Larregieu, Gabriele Cruciani, Tudor I. Oprea, Leslie Z. Benet, Advanced Drug Delivery Reviews, Available online 21 December 2011, ISSN 0169-409X, 10.1016/j.addr.2011.12.008.
Drug repurposing from an academic perspective, Tudor I. Oprea, Julie E. Bauman, Cristian G. Bologa, Tione Buranda, Alexandre Chigaev, Bruce S. Edwards, Jonathan W. Jarvik, Hattie D. Gresham, Mark K. Haynes, Brian Hjelle, Robert Hromas, Laurie Hudson, Debra A. Mackenzie, Carolyn Y. Muller, John C. Reed, Peter C. Simons, Yelena Smagley, Juan Strouse, Zurab Surviladze, Todd Thompson, Oleg Ursu, Anna Waller, Angela Wandinger-Ness, Stuart S. Winter, Yang Wu, Susan M. Young, Richard S. Larson, Cheryl Willman, Larry A. Sklar, Drug Discovery Today: Therapeutic Strategies, Available online 6 November 2011, ISSN 1740-6773, 10.1016/j.ddstr.2011.10.002.
Identification of a GPER/GPR30 antagonist with improved estrogen receptor counterselectivity, Megan K. Dennis, Angela S. Field, Ritwik Burai, Chinnasamy Ramesh, Whitney K. Petrie, Cristian G. Bologa, Tudor I. Oprea, Yuri Yamaguchi, Shin-Ichi Hayashi, Larry A. Sklar, Helen J. Hathaway, Jeffrey B. Arterburn, Eric R. Prossnitz, J Steroid Biochem Mol Biol, Available online 14 July 2011, doi:10.1016/j.jsbmb.2011.07.002.
High-Throughput Screen for the Chemical Inhibitors of Antiapoptotic Bcl-2 Family Proteins by Multiplex Flow Cytometry, Curpan RF, Simons PC, Zhai D, Young SM, Carter MB, Bologa CG, Oprea TI, Satterthwait AC, Reed JC, Edwards BS, Sklar LA, ASSAY and Drug Development Technologies, October 2011, 9(5): 465-474.
Linking Pharmacology to Clinical Reports: Cyclobenzaprine and Its Possible Association With Serotonin Syndrome, Mestres J, Seifert SA and Oprea TI, Clinical Pharmacology & Therapeutics (2011); advance online publication 28 September 2011, doi:10.1038/clpt.2011.177.
G protein-coupled estrogen receptor 1 (GPER)-mediated effects in the rat myometrium, Tica AA, Dun EC, Tica OS, Gao X, Arterburn JB, Brailoiu GC, Oprea TI, and Brailoiu E, Am J Physiol Cell Physiology, in press (Accepted 23 August 2011).
"Computer-Aided Drug Repurposing" talk by Tudor Oprea at Molecular Graphics Modeling Society meeting, Cambridge, England, Sept 21, 2011.
Intracellular Cannabinoid type 1 (CB1) receptors are activated by Anandamide, Brailoiu GC, Oprea TI, Zhao P, Abood ME, Brailoiu E., J. Biol. Chem., 286:29166-29174, 2011 doi 10.1074/jbc.M110.217463.
Cross-pharmacology analysis of G protein-coupled receptors, Brianso F, Carrascosa MC, Oprea TI, Mestres J., Curr. Topics Med. Chem. 11: 1956-1963, 2011.
BDDCS Applied to Over 900 Drugs , Leslie Z. Benet, Fabio Broccatelli, Tudor I. Oprea, AAPS Journal, 1-29, Published Online: Aug 5, 2011.
Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing; Tudor I. Oprea, Sonny Kim Nielsen, Oleg Ursu, Jeremy J. Yang, Olivier Taboureau, Stephen L. Mathias, Irene Kouskoumvekaki, Larry A. Sklar, Cristian G. Bologa, J. Mol. Inf., 30 (2-3), 100-111, 2011.
Understanding drug-likeness, Oleg Ursu, Anwar Rayan , Amiram Goldblum, Tudor I. Oprea, Wiley Interdisciplinary Reviews: Computational Molecular Science, Volume 1, Issue 5, 760-781, Sep/Oct 2011.
NIH grant awarded for bioactivity data integration system "CARLSBAD" (December 2010): The Division of Biocomputing (P.I., Tudor Oprea) has been awarded a two‑year R21 grant for development of a database system integrating multiple bioactivity datasets to provide biomedical scientists with new ways to mine and explore available SAR (structure‑activity relationships) throughout chemical biology space. The new database, CARLSBAD (Confederated Annotated Research Libraries of Small molecule BioActivity Data) will integrate PubChem, ChEMBL, PDSP, IUPHARDb and other datasets in a unified schema. Novel cheminformatics and pattern recognition algorithms will be implemented and deployed for use by domain scientists in convenient, robust, and interoperable ways, including the powerful biological network visualization environment Cytoscape.HTTP/1.1 301 Moved Permanently Location: http://medicine.unm.edu/informatics/ Content-Type: text/html Content-Length: 174