- Undergraduate Education
- B.A St. Louis University (1980)
- Graduate Education
- Ph.D. Washington University, St. Louis (1987)
- Postdoc. Washington University, St. Louis (1987-89)
- Professor. Albert Einstein College of Medicine
- Joined Texas A&M in 1996
Crystallography / Drug Design
My lab uses X-ray crystallography to better understand the relationship between proteins and ligands. Tiny differences in the structure of a molecule can radically change the interaction between a protein and ligand and we are only begining to understand how many factors play a role in this interaction. By manipulating the individual components of a compound it is possible to create a chemical that binds to the protein better than the natural substrate, and prevent the natural reaction from occurring. This is the basis for rational drug design. Our efforts have lead us to collaborations with other labs and scientists in many disciplines as our approach to directed compound design has applications not only in basic research but also in pesticide development, health research and clinical research.
Lehmann, J, Cheng, TY, Aggarwal, A, Park, AS, Zeiler, E, Raju, RM et al.. An Antibacterial β-Lactone Kills Mycobacterium tuberculosis by Disrupting Mycolic Acid Biosynthesis. Angew. Chem. Int. Ed. Engl. 2018;57 (1):348-353.
Chandrasekera, NS, Berube, BJ, Shetye, G, Chettiar, S, O'Malley, T, Manning, A et al.. Improved Phenoxyalkylbenzimidazoles with Activity against Mycobacterium tuberculosis Appear to Target QcrB. ACS Infect Dis. 2017;3 (12):898-916.
Yang, K, Chang, JY, Cui, Z, Li, X, Meng, R, Duan, L et al.. Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis. Nucleic Acids Res. 2017;45 (18):10884-10894.
Taira, J, Morita, K, Kawashima, S, Umei, T, Baba, H, Maruoka, T et al.. Identification of a novel class of small compounds with anti-tuberculosis activity by in silico structure-based drug screening. J. Antibiot. 2017;70 (11):1057-1064.
Yadon, AN, Maharaj, K, Adamson, JH, Lai, YP, Sacchettini, JC, Ioerger, TR et al.. A comprehensive characterization of PncA polymorphisms that confer resistance to pyrazinamide. Nat Commun. 2017;8 (1):588.
Thapa, HR, Tang, S, Sacchettini, JC, Devarenne, TP. Tetraterpene Synthase Substrate and Product Specificity in the Green Microalga Botryococcus braunii Race L. ACS Chem. Biol. 2017;12 (9):2408-2416.
Pham, TV, Murkin, AS, Moynihan, MM, Harris, L, Tyler, PC, Shetty, N et al.. Mechanism-based inactivator of isocitrate lyases 1 and 2 from. Proc. Natl. Acad. Sci. U.S.A. 2017;114 (29):7617-7622.
Patel, N, O'Malley, T, Zhang, YK, Xia, Y, Sunde, B, Flint, L et al.. A Novel 6-Benzyl Ether Benzoxaborole Is Active against Mycobacterium tuberculosis. Antimicrob. Agents Chemother. 2017;61 (9):.
Aggarwal, A, Parai, MK, Shetty, N, Wallis, D, Woolhiser, L, Hastings, C et al.. Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13. Cell. 2017;170 (2):249-259.e25.
Perkowski, EF, Zulauf, KE, Weerakoon, D, Hayden, JD, Ioerger, TR, Oreper, D et al.. Erratum for Perkowski et al., "The EXIT Strategy: an Approach for Identifying Bacterial Proteins Exported during Host Infection". MBio. 2017;8 (3):.