Ph.D., Chemistry, West University, Timisoara, Romania.
M.S., Chemical Engineering, "Politehnica" University, Timisoara, Romania.
Predoctoral Fellow, International Centre of Science and High Technology, Trieste, Italy

Office: Research Incubator Building, room 190
Telephone: (505) 272-6509
E-mail: cbologa@salud.unm.edu

• preclinical drug discovery, with focus on cheminformatics and screening informatics
• development and implementation of novel scientific algorithms
• design and selection of focused and diverse libraries for high throughput screening
• structure- and ligand-based virtual screening
• small molecule and protein modeling
• quantitative structure-activity relationships (QSAR) and 3D QSAR
  

SELECTED PUBLICATIONS

Oprea TI, Allu TK, Fara DC, Rad RF, Ostopovici L, Bologa CG. Lead-like, drug-like or "Pub-like": how different are they? J Comput Aided Mol Des. 2007; 21(1-3):113-9.

Bologa CG, Revankar CM, Young SM, Edwards BS, Arterburn JB, Kiselyov AS, Parker MA, Tkachenko SE, Savchuck NP, Sklar LA, Oprea TI, Prossnitz ER. Virtual and biomolecular screening converge on a selective agonist for GPR30. Nat Chem Biol. 2006; 2(4), 207-12

Edwards BS, Young SM, Oprea TI, Bologa CG, Prossnitz ER, Sklar LA, Biomolecular screening of formylpeptide receptor ligands with a sensitive, quantitative, high-throughput flow cytometry platform, Nat. Protocols 2006; 1(1), 59 – 66.

Edwards BS, Bologa C, Young SM, Balakin KV, Prossnitz ER, Savchuck NP, Sklar LA, Oprea TI. Integration of virtual screening with high-throughput flow cytometry to identify novel small molecule formylpeptide receptor antagonists. Mol Pharmacol. 2005; 68(5),1301-10.

Bologa C, Allu TK, Olah M, Kappler MA, Oprea TI.  Descriptor collision and confusion: Toward the design of descriptors to mask chemical structures. J Comput Aided Mol Des. 2005, 1-11

Young Susan M; Bologa Cristian; Prossnitz Eric R; Oprea Tudor I; Sklar Larry A; Edwards Bruce S  High-Throughput Screening with HyperCyt(R) Flow Cytometry to Detect Small Molecule Formylpeptide Receptor Ligands.    Journal of Biomolecular Screening (2005),  10(4),  374-82.

Oprea TI, Bologa CG, Edwards BS, Prossnitz ER, Sklar LA.  Post-high-throughput screening analysis: an empirical compound prioritization scheme. J Biomol Screen. 2005;10(5):419-26. 

Larson, R. S.; Davis, T.; Bologa, C.; Semenuk, G.; Vijayan, S.; Li, Y.; Oprea, T.; Chigaev, A.; Buranda, T.; Wagner, C. R.; Sklar, L. A.; Dissociation of I Domain and Global Conformational Changes in LFA-1: Refinement of Small Molecule-I Domain Structure-Activity Relationships, Biochemistry (2005); 44(11), 4322-4331.

Avram Speranta; Bologa Cristian; Flonta Maria-Luiza  Quantitative structure-activity relationship by CoMFA for cyclic urea and nonpeptide-cyclic cyanoguanidine derivatives on wild type and mutant HIV-1 protease.    Journal of molecular modeling (2005),  11(2),  105-15. 

Olah, M.; Bologa, C; Oprea, T.I.,  An automated PLS search for biologically relevant QSAR descriptors, J. Comput.-Aided Mol. Design (2004), 18,  437-449.

Olah, M.; Bologa, C; Oprea, T.I.,  Strategies for compound selection. Current Drug Discovery Technologies  (2004),  1(3),  211-220.

Edwards, BS; Young, SM; Waller, A; Bologa, C; Oprea, T; Prossnitz, ER; Sklar, LA, Screening with HyperCyt (R) high-throughput flow cytometry to detect small-molecule formyl-peptide receptor ligands, Cytometry (2004), 59A(1), 31-32

Speranta Avram, I. Svab, C. Bologa, Maria-Luiza Flonta, Correlation between the predicted and the observed biological activity of the symmetric and nonsymmetric cyclic urea derivatives used as HIV-1 protease inhibitors. A 3D-QSAR-CoMFA method for new antiviral drug design, J. Cell. Molec. Med. (2003), 7:3, 287-296

E. Burello, C. Bologa, V. Frecer and S. Miertus, Application of computer assisted combinatorial chemistry in antiviral, antimalarial and anticancer agents design, Molec. Phys. (2002), 100:19, 3187-3198.

Kurunczi, L., Olah, M., Oprea, T.I., Bologa, C. and Simon, Z., MTD-PLS: A PLS-based Variant of the MTD Method. II. Mapping Ligand-Receptor Interactions. Enzymatic Acetic Acid Esters Hydrolysis, J. Chem. Inf. Com. Sci., (2002), 42 (4), 841 -846

Maria Mracec, M. Mracec, C. Bologa, Z. Simon, Significance of MTD and other descriptors in lipophilicity models for chlorinated aromatic compounds, SAR and QSAR Environ. Res. (2001), 12, 143-158.

S. Avram, C. Bologa, M. Banda and Maria-Luiza Flonta, A Quantitative Structure-Activity Relationship Study Used to Predict the Biological Activity of the HIV-1 protease cyclic urea inhibitors, Romanian. J. Biophys. (2001), 11:1‑2, 11-24.

Maria Mracec, Otilia Costişor, C. Bologa, M. Mracec, MTD method and parameter in QSAR models of quinolone derivatives acting as antibacterial  agents, Ann. West. Univ. (Timisoara), Ser.Chim, 9, (2000)
I. Ungureanu, C. Bologa, S.Chayer, A. Mann, Phenylaziridine as a 1,3-dipole. Application to the synthesis of functionalized pyrrolidines, Tetrahedron Lett. (1999), 40, 5315-5318.

D.I. Hadaruga, S. Muresan, C. Bologa, A. Chiriac, Z. Simon, L. Cofar, G. Naray-Szabo, QSAR for cycloaliphatic alcohols with qualitatively defined sandalwood odour characteristics, Quant. Struc.-Activ. Relat. (1999), 18, 253‑261.

S. Liauw, F. Iwitzki, S. Muresan, C. Bologa, A. Chiriac, L. Kurunczi, Z. Simon, B. Jastorff, Quantitative structure-activity relations for the relative affinities of cAMP-derivatives with large substituents in positions 2 and 8 for the four different regulatory sites of a proteinkinase, Rev. Roum. Chim. (1998), 43(3), 241-253.

M. Daba, C. Bologa, A. Chiriac, D. Ciubotariu, Z. Simon, Structure-Mutagenic activity correlation for aromatic and heteroaromatic amines. Inclusion of inactive compounds in QSAR. Ann. West Univ. Timişoara, ser. chem. (1997), 6(1), 101-110.

Maria Mracec, M. Mracec, S. Muresan, C. Bologa, L. Kurunczi, Z. Simon, QSARs on Psychotomimetic Phenylalkylamines. Study with MTD Method and Parameter, Ann. West Univ. Timişoara, ser. chem (1996), 5, 125-134.

S. Muresan, C. Bologa, A. Chiriac, B. Jastorff, L. Kurunczi, Z. Simon, Comparative structure-affinity relations by MTD for binding of cAMP-derivatives to protein kinase receptors, Quant. Struct.-Activ. Relat. (1995), 14(3), 242-248.

S. Muresan, C. Bologa, M. Mracec, A. Chiriac, B. Jastorff, Z. Simon, G. Naray-Szabo, Comparative QSAR study with electronic and steric parameters for cAMP derivatives with large substituent in position 2, 6 and 8, J. Mol. Struc. (TEOCHEM) (1995), 342, 161-171.

C. Bologa, D. Drugarin, Z. Simon, Quantitative structure-activity relations by the MTD-method for binding of nonapeptides to the HLA-A2.1 molecule. Rom. Arch. Microbiol. Immunol. (1995), 54(1,2), 3-14

S. Muresan, D. Dragos, C. Bologa, D. Ciubotariu, Contributions to quantitative structure-activity relationship (QSAR) studies. The minimal steric difference (MTD and MSD), methods and applications, Stud. Univ. Babes-Bolyai, Chem. (1994), 39(1-2), 63-69.

C. Bologa, S. Muresan, Susanne Liauw, F. Iwitzki, V. Chiriac, Quantitative structure-activity study by the MTD-method for cAMP derivative with large substituents in position 2 and 8, Ann. West Univ. Timisoara, ser. chim. (1993), 2, 27-36.