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Ongoing Research Projects
Design and Synthesis of Potential Inhibitors of MAP/Microtubule Affinity-Regulating Kinase 4 to Fight Against Diabetes and Cancer
Funded by: Department of Science and Technology
In this project we aim to design some potential inhibitors of MAKR4 guided by its three-dimensional structure, chemical structures, structure-activity-relationships and biological activities. The specific targeting of these kinases could result in highly active drugs with minimal collateral host toxicity. The great potential of these compounds could open promising perspectives and might offer new opportunities for cancer and type 2 diabetes therapy.​
Identification of a high affinity selective inhibitor of calcium/calmodulin-dependent protein kinase IV by a combined experimental and computational approach
Funded by: Indian Council of Medical Research
CAMK4 is an important transcription regulator and directly associated with cancer and neurodegenerative diseases. Structure determination and analysis will be helpful to understand the structure-function relationship in detail. Virtual/High Throughput Screening followed by docking and MD simulation will be used to find the effective ligands which will be further validated experimentally by synthesizing compounds. The deliverables of the proposal will, over the medium term, lead to the faster development of better, and potential inhibitors of CAMK4. The project will train three research students in the areas of crucial importance to the future science and industry: drug-design, molecular biology, and biophysics.
Design and Synthesis of Selective Inhibitors Against Human carbonic anhydrase VA to Search Potential Anti-obesity Agent: A QSAR and Crystallographic Approach
Funded by: Council of Scientific and Industrial Research
In this project, we first focus to understand the mechanism of enzyme action, conformation of functionally significant residues, mechanism of unique substrate recognition and inhibition. We further perform structure determination followed by structure analysis with docking and MD simulation that actually guide to design potent and selective inhibitors of CAV which will be further validated experimentally. Crystal structure of CA-V with designed inhibitors will further help to increase the specificity and binding affinity of ligands. A combination of crystallization, structure determination, docking, MD simulation, chemical synthesis, enzyme assay, binding and inhibition will help to find a potential therapeutic agent against diabetes and obesity.
Completed Research Projects
Folding and stability of naturally truncated photosynthetic pigment, C-phycoerythrin from cyanobacteria Phormidium tenue
Funded by: Department of Science and Technology
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Structural and Functional Assignment to Hypothetical Proteins from Common Indian Pathogens
Funded by: Indian Council of Medical Research
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Compilation of Useful Information for Indian Diseases Through an Online Data Base Management; A Useful Resource for Researcher and Public Awareness
Funded by: University Grants Commission
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Structural and biophysical characterization of cytochrome c: a component of mitochondrial respiration
Funded by: Department of Science and Technology
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The critical role of five N-terminal residues in the folding and stability of Yeast iso-1 cytochrome c
Funded by: Department of Science and Technology
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