The department is engaged in the following areas of research
Identification and validation of novel target sites for various therapeutic areas: Design and synthesis of new chemical entities as anticancer, antileishmanial, broad-spectrum antimalarial, antituberculosis, antihypertensive, antiinflammatory, antidiabatic, anti-viral compounds and multi-drug resistance reversal agents.
Asymmetric Synthesis: Development of methodologies for catalytic asymmetric synthesis-dynamic kinetic resolution, asymmetric protonation/ deprotonation, asymmetric epoxidation, asymmetric aziridation and asymmetric alkylation. Synthesis of chiral drugs.
Combinatorial Chemistry: Development of novel linkers and analytical protocols; generation of molecular libraries.
Peptide Synthesis: Synthesis of unnatural amino acids and their incorporation in the peptides of biological importance by using solution- and solid- phase synthesis protocols. Receptor binding studies on the TRH peptides.
Eco-friendly Processes: Development of new methodologies under solvent free condition, surface mediated reactions, microwave/ ultrasound assisted enhancement of reaction rates. Development of heterogeniuos catalysts. Use of ionic liquids as organo-catalysts- mechanistic investigation for rational design. Use of non-conventional reaction media- reaction in eater with or without any catalytic aid, mechanistic investigation of water catalysis for rational selection of newer reaction in water. Applications of the novel methods for synthesis of drugs, drug intermediates and new chemical entities for various therapeutic areas.
Computer Aided Drug Design: Molecular modeling methods based on molecular mechanics, Quantum mechanics. Analog based design of - Kinase, Phosphatase, Protease, HMG-CoA reductase, selective COX-2, selective PDE4 inhibitors and hemaglutinin of H1N1 virus. PPAR- g and Angiotensin receptor antagonist, Alzeimer dementia by 3D-QSAR, CoMFA, and docking methods.
Design and synthesis of PPARg agents. 3D QSAR, pharmacophore mapping, virtual screening, molecular docking, de novo design of novel agents for PPARg activity. Computer aided design of GSK3 inhibitors. Quantum chemical studies on the anti-diabetic drugs and leads -- sulfonylurea derivatives, DPPIV inhibitors, metformin analogs.
Design and synthesis of anti-malarial agents: Quantum chemical methods in analyzing the reaction mechanism of synthesis of GTU (Guanylthiourea) derivatives as anti-malarial agents. Synthesis of GTU derivatives for PfDHFR inhibition. Quantum chemical analysis of proguanil to cycloguanil conversion. Ab initio studies on the biurets, thiobiurets, etc. analogs of pyrimethamine.
Computational design of novel dedrimers units for anti-diabetic agent.
Computational prediction of SOM of substrates by Cytochromes.
Molecular Dynamic simulations (quantum as well as force field) to understand basics of drug action.
| Name |
|---|
| Govinddas Mangilal Vaishnav |
| Kapse Rahul Yadaorao |
| Lahu Natha Dayare |
| Natish |
| Neha Rajendra Thakar |
| Nibedita Roy |
| Rezwan Ahmed |
| Sanjeev Ranjan |
| Vaibhav Gupta |
