How Our Computational Drug Discovery Services or CADD Consultancy Can Help You?

RASA Life Science Informatics is proud to announce its insilico drug discovery services or CADD services or Computer Aided drug discovery services  for academia and industry across India and globally. Our COMPUTATIONAL DRUG DISCOVERY SERVICES and CONSULTANCY CAN BOOST YOUR COMPUTATIONAL CHEMISTRY AND MEDICINAL REASEARCH AND DEVELOPMENT

 The Computational drug discovery services or CADD services involves all the stages of the pre-clinical drug discovery utilizing wide array of technology like- Target identification Service , HIT discovery Service , Lead Optimization Service , Drug Repurposing Service etc. We use techniques like high throughput screening, molecular modelling, analogue designing, structural biology, molecular docking and computational chemistry to identify the binding affinity of the compound and about the appropriate target. We have our expertise in major therapeutic areas like cancer, neuro-degenerative diseases, infections and inflammation to say the least.

RASA Bioinformatic CRO Lab has developed the in-depth analysis workflows utilizing computational chemistry, structural biology, molecular modelling and simulation, insilico docking studies approaches to aid in insilico drug discovery or computational drug design & discovery services. We are also specialize in structure based drug discovery Service and ligand based drug based drug discovery Service.

At RASA Bioinformatic Lab, innovation empowers our researchers’ to plan a vast set of novel patentable compounds against a specific focus in a reasonable approach. We have the remarkable capacity to recognize micro molar versus nano molar power compounds amid configuration stage. With such capacities we can outline and organize most encouraging molecules for blend and testing sparing significant cost and time from irregular screening and testing.

Our computational drug design & discovery Services protocol consists of 5 major platforms, which are as follows:

  1. HIT DISCOVERY: The innovation is powered by virtual high throughput screening crosswise over 8 million test compound informational index to screen for conceivable chemical space that would be a perfect fit for an objective of choice. Hence, we can give you proper molecular hits of compounds (ligands) for your target.
  2. LEAD OPTIMIZATION: One of the key steps in drug discovery informatics is lead optimization where we filter out off-targets effects. Pharmacophore mapping can be used for drug designing; two approaches are used – structure based and ligand based
  3. PROTEIN MODELLING AND SIMULATION: Our protein modelling services is integrating bioinformatics-literature’s, tools and software to predict 3D structure of protein. It is combined with Molecular Dynamics for validation.
  4. MOLECULAR DYNAMICS: for validating  and strengthening our hypothesis we perform simulations and we provide you comprehensive report on the model of action of  drugs (molecular hits/complexes)
  5. DRUG REPOSITIONING: Drug repositioning involves compound identification, compound acquisition, preclinical development, preclinical trials and licensing.Two approaches used are molecular docking and structural homology screening.

How Computational Drug Discovery Services Can Assist In Your R&D Projects ?

You have existing / novel compounds and want to

  • See how is it biding to its target protein
  • Enhance adequacy of your present molecule for its target
  • Construct alternate scaffold(s) around your initial found compound for novelty and patentability
  • Discover new targets that could be locked in by your compound

You have a new target X and want to identify compounds that interact with target X

  • Look for early hit molecules of Target X
  • Disentangle potential binding locales
  • Plan and work from molecule fragments
  • Characterize pharmacophore that would drive the restorative chemistry exercise for your objective.

You have discovered an active peptide and want to replicate it with small molecules

  • See how your peptide is binding to its objective
  • Assemble substitute scaffold(s) around your initial found compound for novelty and patentability.
  • Define pharmacophore of binding and make little molecules that copy the peptide binding.

Key Areas Of Computational Drug Discovery Services

  • protein-protein, protein-ligand networks
  • Protein binding site
  • Active site prediction with literature, LigPlot , servers
  • Customised ligplot generation
  • 3D protein structure from fasta sequence, protein name or sequence ID
  • Protein tertiary structures custom modeling
  • Comparative Homology modelling
  • Insilico Protein modelling using threading and ab-initio methods
  • Protein-Protein docking
  • Protein-Enzyme docking
  • Protein-large molecule docking
  • Protein-DNA docking
  • Protein-RNA docking
  • Protein-metal ion docking
  • Protein-nanoparticle docking
  • The “ADME” acronym is commonly used in the pharmaceutical industry to indicate all the phenomena associated with Absorption, Distribution, Metabolism, Elimination
  • Toxicity prediction tool predicts all possible Toxicity(s)
  • Protein-ligand simulation
  • Simple protein simulation
  • Simulating any docked complex
  • Free energy calculations using simulation
  • Umbrella Sampling simulation
  • Bi-phasic simulations
  • Pharmacophore designing
  • High throughput virtual screening of multimillion compounds(CADD)
  • Drug Repositioning,
  • Drug repurposing,
  • Re-profiling,
  • Re-tasking
  • Therapeutic switching
  • QSAR model
  • Descriptors
  • Activity Predictions 

Our Publications

We have wide range of research publications which showcases the work we have carried out for different clients and our in-house R&D in the past few years.

Our Case Studies

Our service solutions apply to different purposes such as molecular medicine,microbial genome application,agriculture, animal,comparative studies,discoveries etc.

CADD / Computational Drug Discovery Services Features

100% Post Service Assistance

We at RASA connect with our clients not only pre service or during service but also,after the service is delivered.

Data security

We assured highly secured data management and work environment.

Quality assurance

Our service aims at perfection and we deliver what is promised. We assure for quality assured services.

Experienced Team

Experienced portfolio management capabilities.

Service Customization

Apart from the package of services provided by us, we also customize service for our clients.

Free Services Training

We not only aim at delivering services but also provide onsite training on the services to the respective clients.

Our Achievements

Service Feedback

Our Computer Aided Drug Discovery Services Workflow

  • 1.


    Communicate your requirements along with your data and we will start working on the service.
  • 2.


    To finalize the steps required to successfully execute the service.
  • 3.

    Service Execution

    Start to work on the service keeping in mind the design & the data.
  • 4.

    Result Evaluation

    Generating results from the service & discussing the same so that client understand it thoroughly.

Clients' Testimonial

Meet Our Team

Our Key Areas Of Life Science's Services

Bioinformatics Consultancy Services

RASA experts help you to model 3D protein structures & identify opportunities to streamline your research with genomics & proteomic data analysis.

Next Generation Sequencing Data Analysis Services

RASA experts help you to manage, organize,analyze your any type of genomic data by using gold standard Next generation sequencing data analysis i.e NGS Data Analysis methods.

Computational Drug Discovery Services

RASA prowess in computational chemistry, structural biology, molecular modelling, simulation.

Customised Services

We at RASA understand that the research you do is innovative and novel. Innovative research needs innovative solutions.We do provide customization in our services according to your research requirement.

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We would love to assist you!Call at +917276010408, +91968904372


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