Selected Projects & Achievements
- Designed antiviral compounds using computational and crystallographic methods, achieving sub-micromolar Kd/IC₅₀
- Developed a dual-target inhibitor by integrating structural data to enhance selectivity and potency
- Targeted BRCA1 tBRCT domain via NMR-based fragment screening and structure-guided expansion
- Led fragment screening across diverse protein families, enabling rational probe development
- Identified binding pockets via protein backbone NMR assignment
- Characterized small molecule–protein interactions using mass spectrometry
- Integrated structural biology with biophysical validation to accelerate probe design
Small Heat Shock Proteins (sHsps)
- Investigated the structure and function of sHSPs and HSP90 using molecular biology, biophysics, and biochemistry
- Employed SEC-MALS, DLS, analytical SEC, and CD to study protein oligomerization
Earlier Foundations
Before transitioning to drug discovery, research spanned inorganic, organic, and supramolecular chemistry - building the crystallography, synthesis, and structural characterization foundation now applied to structure-based drug design
Synthesis and Application of Porous Metal-Organic Frameworks (MOFs)
- Utilized techniques in inorganic, organic, and supramolecular chemistry, along with X-ray crystallography, to characterize organic ligands and coordination complexes
- Characterized porous MOFs, determined crystal structures, and examined gas sensing and adsorption properties post-synthetic modification
- Designed, synthesized, and characterized ligands via multi-step organic synthesis
- Maintained and troubleshot laboratory instruments including single crystal X-ray diffractometers, gas adsorbers, and elemental analyzers
Structures of Polyoxometalates
- Collected single crystal X-ray data and performed structure solution and refinement of giant polyoxometalate clusters
Synthesis, Structure, and Application of Single Molecule Magnets (SMMs)
- Characterized SMMs and determined crystal structures
- Designed, synthesized, and purified organic ligands through multi-step synthesis
Synthesis of Metal-Based Drugs
- Synthesized and structurally characterized bismuth and lanthanide-based coordination compounds
- Trained and guided a junior research student throughout the project
Post-Doc (Protein crystallography, Biophysics, Molecular biology)
Indian Institute of Science,
Molecular Biophysics Unit, Bangalore, India
2014 - 2017
Post-Doc (Inorganic, Organic synthesis, Supramolecular chemistry)
Seoul National University,
Department of Chemistry Seoul, Republic of Korea
2013 - 2014 | 2011 - 2012 | 2008 - 2009
Post-Doc (Inorganic chemistry, Crystallography)
Bielefeld University,
Department of Chemistry Bielefeld, Germany
2012 - 2013
Post-Doc (Inorganic, Organic Synthesis, Molecular Magnetism)
UNIMORE ,
Department of Chemical and Geological Sciences
Moderna, Italy
2010 - 2011
Post-Doc (Main group chemistry, Metal-based drugs, Crystallography)
University of Hyderabad ,
School of Chemistry
Hyderabad, India
2008
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