Medicinal Chemistry

CSIR-IMTECH has state-of-the-art Medicinal Chemistry facility, which was established in the year 2018. It has most of the sophisticated instruments like Flash Chromatography, Peptide Synthesizer, Microwave Reactor, LCMS, Chillers, Rotatory Evaporators, etc. The medicinal chemistry lab is well-equipped to handle air and moisture sensitive catalytic or stoichiometric reactions. The scientists have expertise in synthesizing molecules of diverse multifunctional groups by transition metal catalyzed cross coupling reactions of organometallics (e.g., Suzuki, Negishi, Kumada and Stille couplings), transition metal catalyzed carbon-hetero bond forming reactions, metathesis reactions, C-H activation reactions and other similar reactions.The institute has other central analytical facilities like NMR, Prep HPLC, GCMS, HRMS to support medicinal chemistry activities.



The Medicinal Chemistry facility provides medicinal chemistry and early drug discovery solutions through an experienced team of scientists. The focus is onmaking the right compounds to validate hypothesis and drive SAR by utilising appropriate strategy from concept to pre-clinical development.

1. CSIR-IMTECH can extend its services in the field of Medicinal Chemistry to industries/clients on the following tasks:

Hits Identification:Hits are important starting point in a drug discovery program.  Hits are either provided by client or generated using virtual screen, knowledge based design or HTS using in-house/commercial/client’s compound library.

Knowledge Based Drug Design: If the chemical matter is known for the target of interest, then the scientists can modify the existing scaffolds to come up with the novel molecules. The hits generated through this process undergo further refinement during lead generation.

Lead generation: Prioritization of hits is based on lead likeliness, liabilities and synthetic feasibility. Qualified hits coming from HTS undergo clustering & literature morphing. Hits obtained from HTS, virtual hits and knowledge based designs are modified to generate SAR; identification of more than one lead series.

Lead optimization:Apart from potency, scientists in medicinal chemistry division have expertise in performing PK/PD correlation, analogues for extended selectivity, safety pharmacology, preclinical toxicity and finally identification of pre-clinical candidate(s).

2. CSIR-IMTECH provides a range of consultancy services in drug discovery and medicinal chemistry in different therapeutic areas. 

  • Detailed advice on medicinal chemistry projects
  • Project reviews
  • Advice on patents from scientific standpoint
  • High-Throughput Screening (HTS) analysis
  • Focused molecular library design
  • Hit to lead project supervision
  • Lead optimisation, generation of leads and subsequent optimisation to furnish preclinical candidates.
  • Expert advice on chemistry; route scouting, reaction optimization, parallel synthesis, spectral analysis and overall project strategy.
  • Securing and optimising IP protection.