University of New Mexico Center for Molecular Discovery
Center Progress Year 1 Publications
Bruce S. Edwards, Tudor I. Oprea, Eric R. Prossnitz, and Larry A. Sklar Flow cytometry for high-throughput, high-content screening. Current Opin. Chem. Biol. 8:392-398, 2004.
Marius M. Olah, Cristian G. Bologa, and Tudor I. Oprea An Automated PLS Search for Biologically Relevant QSAR Descriptors. J. Comp.-Aided Mol. Design 18:437-449, 2004.
Marius M. Olah, Cristian G. Bologa, and Tudor I. Oprea Strategies for Compound Selection. Current Drug Discovery Technologies 1: 211-220, 2004.
Tharun Kumar Allu and Tudor I. Oprea Rapid Evaluation of Synthetic and Molecular Complexity for in Silico Chemistry. J. Chem. Inf. Model 45(5): 1237-1243, 2005.
Cristian Bologa, Tharun Kumar Allu, Marius Olah, Michael A. Kappler, and Tudor I. Oprea Descriptor collision and confusion: Toward the design of descriptors to mask chemical structures. J. Comp.-Aided Mol. Design 19: 625-635, 2005.
Bruce S. Edwards, Cristian Bologa, Susan M. Young, Konstantin V. Balakin, Eric R. Prossnitz, Nikolay P. Savchuck, Larry A. Sklar, and Tudor I. Oprea. Integration of Virtual Screening with High-Throughput Flow Cytometry to Identify Novel Small Molecule Formylpeptide Receptor Antagonists. Mol. Pharmacol. 68:1301-1310, 2005.
Tudor I. Oprea, Cristian G. Bologa, Bruce S. Edwards, Eric R. Prossnitz, and Larry A. Sklar Post-High-Throughput Screening Analysis: An Empirical Compound Prioritization Scheme. Journal of Biomolecular Screening 10(5), 419-426, 2005.
Igor V. Tetko, Ruben Abagyan, and Tudor I. Oprea Surrogate data - a secure way to share corporate data. J. Comp. Aid. Mol. Design 19: 749-764, 2005.
Susan M. Young, Cristian Bologa, Eric R. Prossnitz, Tudor I. Oprea Larry A. Sklar and Bruce S. Edwards High-Throughput Screening with HyperCyt® Flow Cytometry to Detect SmallMolecule Formylpeptide Receptor Ligands. J. Biomol. Screen. 10(4), 2005.
Mathewos Tessema, Peter C. Simons, Daniel F. Cimino, Lilliana Sanchez, Anna Waller, Richard G. Posner, Angela Wandinger-Ness, Eric R. Prossnitz and Larry A. Sklar Glutathione-S-Transferase-Green Fluorescent Protein Fusion Protein Reveals Slow Dissociation from High Site Density Beads and Measures Free GSH Cytometry Part A 69A: 326-334, 2006.
Matthew J. Saunders, Heungbok Kim, Travis A. Woods, John P. Nolan, Larry A. Sklar, Bruce S. Edwards, and Steven W. Graves Microsphere-Based Protease Assays and Screening Application for Lethal Factor and Factor Xa Cytometry Part A 69A: 342-352, 2006.
Cristian G. Bologa, Chetana M. Revankar, Susan M. Young, Bruce S. Edwards, Jeffrey B. Arterburn, Alexander S. Kiselyov, Matthew A. Parker, Sergey E. Tkachenko, Nikolay P. Savchuck, Larry A. Sklar, Tudor I. Oprea and Eric R. Prossnitz Virtual and biomolecular screening converge on a selective agonist for GPR30 Nat. Chem. Biol. 2: 207-212, 2006.
David G. Lloyd, Georgia Golfis, Andrew J. S. Knox, Darren Fayne, Mary J. Megan and Tudor I. Oprea Oncology exploration: charting cancer medicinal chemistry space. Drug Discovery Today 11, Number 3/4, 2006.
Center Progress Year 2 Publications
Larry A. Sklar NM Molecular Libraries Screening Center: Enhancing Drug Discovery with Cheminformatics. Society for Biomolecular Screening News 22: 1, 2006.
Chinnasamy Ramesh, Bj Bryant, Tapan Nayak, Chetana M. Revankar, Tamara Anderson, Kathryn E. Carlson, John A. Katzenellenbogen, Larry A. Sklar, Jeffrey P. Norenberg, Eric R. Prossnitz, and Jeffrey B. Arterburn Linkage Effects on Binding Affinity and Activation of GPR30 and Estrogen Receptors ERα/β with Tridentate Pyridin-2-yl Hydrazine Tricarbonyl-Re/99mTc(I) Chelates J. Am. Chem. Soc. 128: 14476-14477, 2006.
Bruce S. Edwards, Susan M. Young, Tudor I. Oprea, Cristian G. Bologa, Eric R. Prossnitz and Larry A. Sklar Biomolecular Screening of Formylpeptide Receptor Ligands with a Sensitive, Quantitative, High-Throughput Flow Cytometry Platform Nature Protocols 1(1): 59-66, 2006.
Eric R. Prossnitz, Jeffrey B. Arterburn, Bruce S. Edwards, Larry A. Sklar, Tudor I. Oprea Steroid-Binding G-Protein-Coupled-Receptors: New Drug Discovery Targets for Old Ligands Expert Opin. Drug Discov. 1: 137-150, 2006.
Eric R. Prossnitz, Jeffrey B. Arterburn, Larry A. Sklar GPR30: A G Protein-Coupled Receptor for Estrogen Mol. Cell. Endocrinol. 265: 138-142, 2007.
Dan C. Fara, Tudor I. Oprea, Eric R. Prossnitz, Cristian G. Bologa, Bruce S. Edwards and Larry A. Sklar Integration of virtual and physical screening Drug Discovery Today: Technologies 2 (4): 377-385, 2006.
Tudor I. Oprea and Alexander Tropsha Cheminformatics and drug discovery Drug Discovery Today: Technologies 3 (4): 355-356, 2006.
Tudor I. Oprea and Alexander Tropsha Target, chemical and bioactivity databases - integration is key Drug Discovery Today: Technologies 3 (4): 357-365, 2006.
Tudor I. Oprea, Tharun Kumar Allu, Dan C. Fara, Ramon F. Rad, Lili Ostopovici, and Cristian Bologa Lead-like, drug-like or "Pub-like": how different are they? J. Comp.-Aided Mol. Design 21(1-3): 113-119, 2007. Supplementary Data: LeadDrugPub2.csv
Yang Wu, Samuel K. Campos, Gabriel P. Lopez, Michelle A. Ozbun, Larry A. Sklar, and Tione Buranda The Development of Quantum Dot Calibration Beads and Quantitative Multicolor Bioassays in Flow Cytometry and Microscopy Anal. Biochem. 364: 180-192, 2007.
Yang Wu, Gabriel P. Lopez, Larry A. Sklar, and Tione Buranda Spectroscopic Characterization of Streptavidin Functionalized Quantum Dots Anal. Biochem. 364: 193-203, 2007.
Eugen Brailoiu, Siok L. Dun, G. Cristina Brailoiu, Keisuke Mizuo, Larry A. Sklar, Tudor I. Oprea, Eric R. Prossnitz and Nae J. Dun Distribution and characterization of estrogen receptor G protein-coupled receptor in the rat central nervous system J. Endocrin. 193: 311-321, 2007.
Bruce S. Edwards, Susan M. Young, Matthew J. Saunders, Cristian G. Bologa, Tudor I. Oprea, Richard D. Ye, Eric R. Prossnitz, Steven W. Graves, and Larry A. Sklar High-Throughput Flow Cytometry for Drug Discovery Expert Opin. Drug Discov. 2(5): 685-696, 2007.
Peter C. Simons, Susan M. Young, Veronica Gibaja, Wen-Cherng Lee, Serene Josiah, Bruce S. Edwards, and Larry A. Sklar Duplexed, Bead-Based Competitive Assay for Inhibitors of Protein Kinase Cytometry Part A 71A(7): 451-459, 2007.
Center Progress Year 3 Publications
Mark A. Naivar, Jimmie D. Parson, Mark E. Wilder, Robert C. Habbersett, Bruce S. Edwards, Larry A. Sklar, John P. Nolan, Steven W. Graves, John C. Martin, James H. Jett, and James P. Freyer Open, Reconfigurable Cytometric Acquisition System: ORCAS Cytometry Part A 71A: 915-924, 2007.
Chetana M. Revankar, Hugh D. Mitchell, Angela S. Field, Ritwik Burai, Cesear Corona, Chinnasamy Ramesh, Larry A. Sklar, Jeffrey B. Arterburn, and Eric R. Prossnitz Synthetic Estrogen Derivatives Demonstrate the Functionality of Intracellular GPR30 ACS Chem. Biol. 2(8): 536-544, 2007.
Larry A. Sklar, Mark B. Carter, and Bruce S. Edwards Flow Cytometry for Drug Discovery, Receptor Pharmacology and High-Throughput Screening Curr. Opin. Pharmacol. 7: 527-534, 2007.
Tudor I. Oprea, Alexander Tropsha, Jean-Loup Faulon, and Mark D. Rintoul Systems Chemical Biology Nat. Chem. Biol. 3: 447-450, 2007.
Lidia Albanito, Antonio Madeo, Rosamaria Lappano, Adele Vivacqua, Vittoria Rago, Amalia Carpino, Tudor I. Oprea, Eric R. Prossnitz, Anna M. Musti, Sebastiano Andò, and Marcello Maggiolini G Protein-Coupled Receptor 30 (GPR30) Mediates Gene Expression Changes and Growth Response to 17β-Estradiol and Selective GPR30 Ligand G-1 in Ovarian Cancer Cells Cancer Res. 67: 1859-1866, 2007.
Eric A. Ariazi, Andrei Leitão, Tudor I. Oprea, Bin Chen, Teresa Louis, Anne M. Bertucci, Catherine G. N. Sharma, Shaun D. Gill, Helen R. Kim, Heather A. Shupp, Jennifer R. Pyle, Alexis Madrack, Anne L. Donato, Dong Cheng, James R. Paige, and V. Craig Jordan Exemestane's 17-hydroxylated metabolite exerts biological effects as an androgen Mol. Cancer Ther. 6(11): 2817-2827, 2007.
Eric R. Prossnitz, Larry A. Sklar, Tudor I. Oprea, and Jeffrey B. Arterburn GPR30: A Novel Therapeutic Target in Estrogen-Related Disease Trends Pharmacol. Sci. 29(3): 116-123, 2008.
Eric R. Prossnitz, Jeffrey B. Arterburn, H. O. Smith, Tudor I. Oprea, Larry A. Sklar, and H. J. Hathaway Estrogen Signaling through the Transmembrane G Protein-Coupled Receptor GPR30 Annu. Rev. Physiol. 70: 165-190, 2008.