Computational chemistry/ Bioinformatics and Experimental
Prof. Lalitha Guruprasad’s group is pursuing research in the areas of genome sequence analysis and has developed ab-initio methods for the identification of repeats and domains in proteins using computational tools. Drug design using in-silico methods is pursued using protein three dimensional structure modeling, molecular docking, quantitative structure activity relationship studies and molecular dynamics simulations. Research emphasis is on the proteins in Mycobacterium tuberculosis genome, malarial parasite and human kinases responsible for cancer.
Some of the hypothesis of protein function predicted from computational studies for M. tuberculosis proteins are validated experimentally using tools in molecular biology, protein purification, biochemical and biophysical characterization.
The low molecular weight proteins from plant sources (Trigonella foenum seeds) are purified and characterized using biochemical, biophysical and antifungal studies .