Research Interest

My research primarily focuses on computer-aided and structure-guided drug discovery, integrating computational modelling, cheminformatics, and experimental methods.

Structure-activity relationship (SAR) and quantitative structure-activity / structure-property relationship (QSAR/QSTR) investigations to identify and optimize small-molecule inhibitors against diverse therapeutic targets, including epigenetic enzymes (e.g., HDACs, MMPs), proteases (viral and human), transporters, and other clinically relevant proteins.

Computational drug design using molecular docking, pharmacophore modeling, molecular dynamics, and machine-learning-based predictive models (e.g., for membrane permeation, toxicity, transporter interaction) to help predict drug-likeness, ADMET properties, and off-target risks.

Translational medicinal chemistry — designing and synthesizing novel small molecules (and occasionally peptide-based agents) followed by biological screening to evaluate anticancer, antiviral, anti-infective, or other pharmacological potentials.

Biophysics and structural biology: application of techniques such as NMR spectroscopy (solid-state and/or solution) to study molecular structure, dynamics, protein–ligand interactions, and biopolymer/drug molecule behavior, with an eye toward rational drug design and delivery applications.

Overall I am interested in bridging computational modelling and experimental validation to accelerate the discovery of safe, effective, and selective therapeutic agents. I aim to contribute to drug development pipelines for cancer, infectious diseases, metabolic or transporter-mediated disorders, with a robust focus on mechanistic understanding, predictivity, and translational potential.

Scopus ID: 7003283569, ORCID 0000-0002-3367-578X

h index = 28 (Scopus), 30 (Google Scholar) 

Academics

Ph. D. Nanyang Technological University, Singapore (2010) 

M. Pharm. (Pharmacy) Jadavpur University, Kolkata, India (2004) 

B. Pharm. (Pharmacy) Jadavpur University, Kolkata, India (2002)

Employment History 

Assistant Professor (2021-Contd)

Employer: Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India

Assistant Professor (2013-2021)

Employer: Department of Pharmaceutical Sciences, Dr. H.S. Gour University (Central University), Sagar, MP, India

Post Doctoral Research Fellow (2010 – 2013) 

Employer: Experimental Therapeutic Centre (ETC), Bioemdical Sciences Institute (BMSI), A*STAR, Biopolis Singapore 

Research topics: 

1. Structural characterization of Dengue/West nile Virus protease, application into drug discovery. 

2. Structural Characterization of ion channels/GPCR/membrane proteins.

Laboratory Executive (2009 – 2010) 

Employer: Nanyang Technological University, Singapore 

Research topics: Structural and mechanistic insight into archaeal ATP synthase, vacuolar ATPase and F1FO ATP synthase 

Research Associate (2005 – 2005) 

Employer: Ranbaxy Research Laboratories, Gurgaon, India 

Research topics: Design and protocols of bioavailability/ bioequivalence study and analysis of pharmacokinetics parameters

Fellowships/awards 

2010, Postdoctoral Research Fellowship, awarded by Biomedical Sciences Institute (BMSI), A*STAR, Singapore

2007, Conference grant award for ISMAR 2007, awarded by Nanyang Technological University (NTU), Singapore 

2006, Full-time Fellowship for PhD Program, awarded by Nanyang Technological University (NTU), Singapore 

2005, Senior Research Fellowship (Direct), awarded by Indian Council of Medical Research (ICMR), India 

2004, Gold Medal (For topping in Master degree), awarded by Jadavpur University, India 

2004, Professor Anupam Sen Gupta Memorial Bronze Medal (For securing highest marks in pharmaceutical chemistry), awarded by Jadavpur University, India 

2002, Fellowship for masters program in pharmacy, awarding Agency All India Council for Technical Education, Govt. of India

NMR Data Assignment and Pdb Deposition 

Assignment of protein/peptide deposited in Biological magnetic Resonance Data bank (BMRB): ID no 17537, 16354, 17487, 15046, 18196, 15940, 16247. 

Protein/peptide Structure Solved by NMR spectroscopy: Pdb ID no 2L4R, 2LAT, 2K88, 2OV6, 2K6I, 2KHK, 2KK7, 2M0S.