Suman Sirimulla, PhD
Department of Chemistry & Biochemistry,
Office: Room 231, Bldg 20,
B.Pharmacy, J.S.S college of Pharmacy, Mysore, India
M.S, Pharmaceutical Chemistry, University of Texas at El Paso
PhD, Pharmaceutical chemistry, University of Texas at El Paso
Scientific Research Interests:
Pedagogical Research Interests:
- Effect of Halogen bonding in drug design and crystal growth design
- Computer assisted drug discovery and development of drugs.
- Virtual Screening and structure based design of drugs.
- Study of protein liand interactions using molecular docking.
- Prediction of 3-D structures of GPCRs (proteins) using Homology modeling.
- Structure-activity relationships studies of compound data sets using molecular similarity and other chemoinformatic approaches.
- Increase underrepresented student population in science courses.
- Enhance student learning in classroom.
- Incorporate technology into classroom.
- Develop effective teaching techniques and instructional methods.
- Dealing with large classes.
Peer-reviewed research publications:
- Halogen interactions in protein-ligand complexes: Implications of halogen bonding for rational drug design, J. Chem. Inf. Model., 2013, DOI: 10.1021/ci400257k.
- Identification of novel nitrosative stress inhibitors by virtual screening and experimental evaluation, Molecular Informatics, 2012, 31: 167–172.
- Ocular sustained release nanoparticles containing stereoisomeric dipeptide prodrugs of acyclovir, Journal of Ocular Pharmacology and Therapeutics. 04/2011; 27(2):163-72
- Hydrogen Physisorption in Cu(II) metallacycle, J. Phys. chem. C., 2010, 114 (49), pp 21371-21277.
- Prediction of Partial Molar volumes of amino acids and small peptides: counting atoms versus topological indices. J. Chem. Inf. Model., 2010, 50 (1), pp 194–204.
- Presented a Research Poster titled “Insilco Prediction of curcumin binding site in Human serum albumin using AutoDock Vina” at 65th southwest regional American chemical Society meeting, November 4-7, 2009, El Paso, Texas.
- Presented a Research Poster titled “Hierarchical QSAR analysis of antimalarial artemisinin derivatives” at 3rd Pharmaceutical Scientists world congress held by International Pharmaceutical Federation (FIP) at Amsterdam, Netherlands (2007).
- Presented a Research Poster titled “Cross-validated QSAR Studies of Anti-Malarial Mefloquine Derivatives: Systematic Simple Protocols vs. Complex (Fallacious) Methodology” at 62nd SWRM American Chemical Society (ACS) meeting, Houston, Texas (2006).
- Presented a Research poster titled “Computational Data (Physical Properties) of Structurally Modified Lead Compounds of Thiophene Derivatives” at First Bioinformatics Research poster session, UTEP, El Paso, Texas (2006).