Innovative Informatica Technologies

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.
  

Peptidomimetics

Our peptidomimetic designing service gives you an advantage of discoveing novel scaffold of small 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.
  

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.
  

Identify new targets for your lead molecule towards finding new therapeutic application oppurtunities.

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.
  

Absorption, distribution, metabolism, exertion and toxicity (ADMET) properties determination is an essential criteria should be considered during the initial stages of rational dug designing and a valuable tool in short listing potential drug candidates out of lacks of compounds.

Homology modeling is a computational modeling technique used for generating high resolution hypothetical proteins by using the evolutionarily related protein structure information. This method is highly valuable when the structure of the protein target is not known. Presently available softwares allow us to build therapeutically important drug targets with high accuracy and correlation with experimentally determined protein structures.

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.
  

Most of the biological functions depends upon the protein-protein interactions, especially signal transduction mechanisms, which is the core of the entire interactomics system of any living cell. Many disease pathways such as cancer, undesired protein-protein interactions are the key factors towards malfunctioning of the cells. Most of the anti cancer drugs have been identified by blocking the protein-protein interacting pathway. Hence, studying the network pathways involving many protein interactions is crucial towards finding novel drug targets and studying the protein-ligand interactions which can specifically target a particular protein-protein interaction is vital for novel drug discovery.

Virtual screening is a computational technique used in drug discovery research for screening of large chemical space for potential lead drug candidates towards a known drug target, typically an enzyme or a protein receptor. As the accuracy and correlation of this method of screening with experimental results is increased, the application of this technique is being highly appreciated in pharma industries towards screening enormous chemical space of over 10 million chemical compounds. Based on the available knowledge regarding potential drug target/ligand, structure/ligand based virtual screening will be implemented either individually or in combination for identifying potential lead drug like compounds.

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.