top of page

Our Services:

Library Screening for Hit to lead Identification:

We offer both structure and ligand based high-throughput screening (HTS) of more than a million manually curated compounds database that can be deployed for identifiying potential target specific drug like small molecules for your target of interest. Outsource with confidence that our HTS is performed using state-of-art high performance CPU + GPU based server and clusters thus providing you with valuable data towards driving your drug discovery programs in a short period of time. Our library screening services save you time and let you focus on highly potent & selective lead compounds for new drug discovery programs.

Features and Benefits of our HTS service:


  • Drug Repurposing: Identify new targets for your lead molecule towards finding new therapeutic application oppurtunities. 

  • Identify potent and selective high quality leads for your target of interest.

  • Manually curated ADMET screened compound database.

  • Accurary rate of upto ~80% when compared with experimental data.

  • Capacity to screen more than 1 lakh compounds per day.

  • Flexibility in choosing any number of compounds to be screened against any number of targets.

Lead Optimization :

Our lead optimization service will provide you the advantage of making your lead like compound in to highly selective and potent drug like small molecule via employing rigorous iterative process of altering the chemical structure using sophisticated computational software and chemistry simulation techniques for better selectivity, ADME and toxicology profile with the goal of progressing to a preclinical candidate.

Features and Benefits of our Lead Optimization service:


  • Increase the chances of designing a novel target specific small molecules by folds.

  • Better ADME and toxicology profiling of the compound.

  • Designing of novel scaffold in the process for patentability.

Target Protein modeling:

We offer high quality protein tertiary structures custom modeling services based on your own amino-acid sequences. Combination of modeling and short term simulations under controlled parameters will ensure the reliablity of modeled structure for further studies.

Features and Benefits of our Protein modeling service:


  • De novo protein modeling.

  • Analysis and high quality template selection after thorough literature search.

  • Sequence similarity analysis and validation.

  • Loop modeling and refinement.

Molecular dynamic simulations:

Our molecular simulation service helps you to determine how your molecular system plausibly works and provide valuable insights about the mode of action of your molecule via analyzing the conformer space in terms of their kinetic and thermodynamics.

Features and Benefits of our Protein modeling service:


  • Understand protein-ligand interactions.

  • Get insights on binding pathways of your compound in action.

  • Complete energy landscape anlaysis.

  • Visualize allosteric modulatorybehaviour of receptor proteins.

Identification of Peptidomimetics:

Our peptidomimetic designing service gives you an advantage of discoveing novel scaffold of samll molecule for your target of interst mimicing the mode of binding of known active peptide for the same. Our Inhouse software rapidly generate hundreds to thousands of peptide analogs by altering the sequence, thus giving the advantage of screening all possible peptide anlogs.

Features and Benefits of our Peptidomimetic service:


  • Designing and Identification of novel peptide analogs.

  • Novel small molecule scafflod designing to mimic peptide binding mode.

  • Understand the molecular interactions.

  • Solublity studies for the peptide library.

Novel Scaffold designing:

Novel Scaffold designing rapidly speeds up the identification of drug like molecules with high chances of getting them to clinical trials within a short period of time. Identification of small fragments of side chains with high affinity at the target binding site in combination with lead optmization approaches deliver high quality lead like novel scaffold of small molecules.

Features and Benefits of our Protein modeling service:


  • De novo scaffold designing.

  • Fragment based de novo molecule designing.

  • Target binding pocket based drug designing.

  • Novelty and patentability ease.

bottom of page