Projects

Ongoing

  1. Design, Synthesis, and DNA Interaction Studies With Novel Photosensitizer Molecules as Efficient Photodynamic Therapeutic Reagents (Funded by DBT)
  2. In Silico studies on Peptide Nucleic acids toward their stabilities with metal ions, nano­clusters/modified backbones and exploiting the PNA for biosensing of DNA, RNA with metals/Hydrocarbon surfaces (Funded by DBT)
  3. Molecular Recognition: Receptors for Biomarkers and for Probing Bio-chemical & Molecular Processes (Funded by DST)

Completed

    1. In Silico studies to understand the interactions and design of reversible and irreversible proton pump inhibitors to H+, K+-APTase using quantum chemical studies and molecular dynamics simulation (Funded by BRNS)
    2. Pores and Channels by Assembly of Cyclic peptides: Design, Molecular Modeling and Synthesis (Funded by DST, India and MESS, Croatia)
    3. Theoretical Investigations of Adsorption Additives onto the Crystal Surface of Sodium Chloride and on other alkali halides (Funded by DST)
    4. Acetylcholinesterase (AChE) Inhibitors: the Neurotoxic Phosphotriesterase Substrates and Related Nerve Reagents- Conformation, Dynamics, Hydrolysis and the Therapeutic Pharmacophores. (Funded by DAE-BRNS)
    5. Understanding the Reactivation of Organophosphate Inhibited Acetylcholinesterase (AChE) with Nucleophiles and Examining Competing Aging Processes (Funded by DST)
    6. Design, Synthesis, and DNA Interaction Studies With Novel Photosensitizer Molecules as Efficient Photodynamic Therapeutic Reagents (Funded by DBT)
    7. Studies on the dynamics of the electron/energy transfer in multicomponent Ru(II)-trisbipyridyl or porphyrin derivatives and interfacial electron transfer (Funded by DAE-BRNS)
    8. Centre for excellence for computational chemistry: An integrated tool for multi-scale simulation to design materials, processes and simulation of molecular recognition process in biology (Funded by CSIR)