Chemistry Building 221
Research and Teaching Interests: Application of Computational Methods for Early Phase Drug Discovery Projects and the Optimization of Lead Scaffolds into Drug Candidates
Office Hours: By appointment
- BS, Cleveland State University, Chemistry
- PhD, Cleveland State University/Cleveland Clinic Foundation (joint program), Computational Chemistry
In the 1990s I was an international student at Cleveland State University. After obtaining my BS in Chemistry and PhD in Computational Chemistry I worked as postdoctoral research fellow for two years at Georgetown University, Washington, DC, and another two years at the University of Michigan, Ann Arbor. In 2003 I joined a pharmaceutical company, UCB Research in Cambridge, Massachusetts, as Senior Scientist where I provided computational support for pharmaceutical lead discovery and lead development projects.
In 2005 I moved to Birmingham, Alabama, to join the Drug Discovery Division of Southern Research Institute where I enjoyed working as Computational Chemist/Research Scientist in a team-oriented research environment for nine years. Through computational studies I contributed to a variety of research programs, mainly in the areas of infectious diseases, cancer, and development therapeutic agents for chronic pain and addiction. Most of my research at Southern Research was supported through projects funded by the National Institutes of Health.
In May 2015 I moved to the University of Alabama at Birmingham as Research Associate Professor to facilitate the development of computer-aided drug design capabilities of the Chemistry Department and to support the teaching and mentoring mission of the department related to the application of modeling software in drug discovery for UAB faculty and students.
- Guest lecturer, Southern Research/UAB joint course HMG 705
- Ananthan S.; Saini, S. K.; Zhou, G.; Hobrath, J. V.; Padmalayam, I.; Zhai, L.; Bostwick, J. R.; Antonio, T.; Reith, M. E.; McDowell, S.; Cho, E.; McAleer, L.; Taylor, M.; Luedtke, R. R. Design, synthesis, and structure-activity relationship studies of a series of [4-(4-carboxamidobutyl)]-1-arylpiperazines: insights into structural features contributing to dopamine D3 versus D2 receptor subtype selectivity. J Med Chem. 2014, 57(16), 7042-7060.
- Ekins, S.; Freundlich, J. S.; Hobrath, J. V.; White E. L.; Reynolds. R. C. Combining computational methods for hit to lead optimization in Mycobacterium tuberculosis drug discovery. Pharm Res. 2014, 31(2), 414-435.
- Sudagar, S. Gurcha, S. S.; Usha, V.; Jonathan A. G. Cox, J. A. G.; Fütterer, K.; Abrahams, K. A.; Bhatt, A.; Alderwick, L. J.; Reynolds, R. C.; Loman, N. J.; Nataraj, V. S.; Alemparte, C.; Barros, D.; Lloyd, A. J.; Ballell, L.; Hobrath, J. V.; Besra, G. S. Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target. PLoS ONE 2014, 9(11), e113568.
- Simithy, J; Reeve, N., Hobrath, J. V.; Reynolds, R. C.; Calderon, A. I. Identification of shikimate kinase inhibitors among antimycobacterial compounds by LC-MS. Tuberculosis 2014, 94(2), 152-158.
- Veeraraghavan, U.; Hobrath, J. V.; Sudagar S. Gurcha, S. S.; Reynolds, R. C.; Besra, G. S. Identification of novel Mt-GuaB2 inhibitor series active against M. tuberculosis. PLoS ONE 2012, 7(3), e33886.
- Ananthan, S.; Zhang, W.; Hobrath Varady, J. Recent Advances in Structure-Based Virtual Screening of G-Protein Coupled Receptors. AAPS J. 2009, 11, 178-185.
- Hobrath Varady, J.; Wang, S. Computational elucidation of the structural basis of ligand binding to the dopamine 3 receptor through docking and homology modeling. J. Med. Chem. 2006, 49, 4470-4476.
- Varady, J.; Wu, X. W.; Fang, X.; Min, J.; Hu, Z.; Levant, B.; Wang, S. Molecular modeling of the three-dimensional structure of dopamine receptor 3 (D3) subtype receptor. Discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach. J. Med. Chem. 2003, 46(21), 4377-4392.
- Varady, J.; Wu, X.W.; Wang, S. Competitive and reversible binding of a guest molecule to its host in aqueous solution through molecular dynamics simulation: benzyl alcohol/beta cyclodextrin system. J. Phys. Chem. B 2002, 106, 4863-4872.
- Member, American Chemical Society
- Member, Society for Neuroscience