Experience

Research Career

Seven years of hands-on research in inorganic synthesis, computational modelling, and medicinal chemistry — from bench to publication.

Positions

Work Experience

Doctoral Researcher — Inorganic & Medicinal Chemistry
University of Lucknow  ·  Lucknow, India
December 2020 – January 2026  ·  Full-time, 5+ years
  • Designed and synthesised 10 novel Ru(III) and half-sandwich Ru-arene Schiff-base complexes as potential anticancer and antimycobacterial agents.
  • Characterised all compounds using ¹H & ¹³C NMR, FT-IR, UV-Vis, single-crystal X-ray diffraction, and CHNS elemental analysis.
  • Performed DFT geometry optimisations, HOMO-LUMO gap calculations, and MEP surface mapping in GAUSSIAN to rationalise reactivity and electronic structure.
  • Executed molecular docking studies (AutoDock, Discovery Studio) against cancer-relevant protein targets; correlated binding scores with biological assay data.
  • Collaborated with partner biology laboratories for anticancer, antimycobacterial, and antioxidant assays; integrated results into structure–activity relationship (SAR) analyses.
  • Authored 5 peer-reviewed publications in Q1/Q2 journals (Chemistry–An Asian Journal, ChemistrySelect, Journal of Molecular Structure) and 1 preprint.
  • Presented research at 2 national seminars (oral) and 1 international conference (poster — ISCB-2025).
  • Mentored junior researchers in synthesis protocols, spectral data interpretation, and computational workflows.
Trainee — Computational Approaches to Drug Design & Development (CADD)
CSIR – Central Drug Research Institute (CDRI)  ·  Lucknow, India
January 2019 – March 2019  ·  Internship, 8 weeks
  • Completed an intensive certificate programme in computational drug design at India's premier drug-discovery institute.
  • Gained hands-on exposure to molecular modelling, virtual screening, molecular docking, and bioinformatics tools used in pharmaceutical R&D.
  • Learned to navigate protein data banks, prepare receptor files, and interpret docking output — skills directly applied throughout the PhD.
Workshop Participant — HPTLC: Technique and Applications
Anchrom Enterprises (I) Pvt. Ltd. & Smriti College of Pharmaceutical Education  ·  Virtual
Completed

High-Performance Thin-Layer Chromatography (HPTLC) techniques and pharmaceutical applications.

Conferences

Presentations

Poster Presentation · International
Synthesis, Characterization, Molecular Docking and Biological Evaluation of Ruthenium Complexes
30th ISCB International Conference (ISBC-2025)  ·  International Society for Chemical and Biological Sciences
Oral Presentation · National Seminar
Synthesis, Spectral Studies and Molecular Docking of Thiosemicarbazide Ligands and Ruthenium Complexes
National Seminar on Advancement and Strategies for Sustainable Development & Environmental Protection  ·  Netaji Subhash Chandra Bose Govt. Girls P.G. College, Lucknow
Paper Presentation · National Conference
Synthesis, Characterization, Molecular Docking and Biological Evaluation of Ruthenium Complexes
Aryabhat Institute of Academics and Research & Goel Institute of Higher Studies (Affiliated to University of Lucknow)
Skills

Core Competencies

Core Research Areas

Coordination Chemistry Medicinal Chemistry Computational Chemistry Structure-Based Drug Design Anticancer Metallodrugs

Computational Tools

GAUSSIAN (DFT) AutoDock Discovery Studio ChemDraw Python / RDKit ADME Tools QSAR

Analytical Techniques

NMR (¹H & ¹³C) FT-IR UV-Vis X-Ray Crystallography CHNS Analysis HPTLC
Goals

Postdoctoral Interests

I am actively seeking a postdoctoral position that bridges computational drug discovery with experimental validation. My goal is to translate computational insights into viable metallodrug candidates through rational, structure-based design.

  • In vivo behaviour and pharmacokinetics of metal-based therapeutic agents
  • Lead-compound optimisation and structure–activity refinement
  • Computational drug-discovery workflows for metal complexes
  • Metallodrug–biomolecule interaction studies
  • Machine learning applications in medicinal inorganic chemistry
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