Drug Design Services
Our drug design services helps you predict the performance of your potential drugs and helps you virtually screen through promising compounds through programs and services developed by our Indian partner in a cost-effective and timely manner
These services help discovery researchers with early stage conceptual design and core computational molecular modeling studies. We offer project-based services for Structure Based Drug Discovery (SBDD), Ligand Based Drug Discovery (LBDD), Quantitative Structure-Activity, Structure-Toxicity, Structure-Property Relationship (QSAR / QSTR / QSPR) services, and custom-specific problem solving solutions for a diverse set of research situations.
Structure Based Drug Discovery (SBDD)
The target or structure based drug design (SBDD) is a well established methodology built on the knowledge of three dimensional structure of target protein.
Our partner's services can provide:
- Target identification, Validation And Prediction
- Homology modeling and Threading
- Protein-ligand interaction analysis
- Compound screening based on Docking & Scoring
- De-Novo design
- Generation of Combinatorial libraries
- Lead Identification, Modification & Optimization
- Conformations Generation and Optimization
- Descriptors evaluation and activity prediction
- Exhaustive COMBINE analysis for detailed binding interaction analysis leading to better ligand design
Ligand Based Drug Discovery (LBDD)
Ligand based drug discovery (LBDD) enables identification of novel lead molecules prior to any trial and error experiments and screening of large database of available molecules.
We offer computer aided discovery services for
- Pharmacophore Identification
- Pharmacophore based search
- Lead hopping and lead modification
- Enhancement on the diversity of Scaffolds
- Molecular Field Generation and Analysis for lead Optimization
- Molecular Surface Property Calculation
- Quantification of receptor-ligand interactions
- Relating compound activities with molecule descriptors
- Combinatorial library generation & Screening
Quantitative Structure Activity Relation (QSAR)
QSAR studies are used for identifying pattern in the molecular descriptors that can describe the activity variation.
The projects can be for the analysis of Quantitative Structure Activity Relation (QSAR), Quantitative Structure Property Relation (QSPR), or Quantitative Structure Toxicity Relation (QSTR). The analysis can be done on Structure Activity Relationship (SAR) of compound libraries with respect to one or many molecular descriptors such as thermodynamic, topological, steric, electronic, physico-chemical, electrostatic etc.
The service can provide:
- Analysis of linear as well as non-linear relationship of molecular descriptors
- Descriptors study using graphical tools
- Capture of non-linear relationship of descriptors using nearest neighbor method
- Activity predictions using various regression methods: multiple regression, stepwise regression, GA, PLS method and PCA
- Exhaustive and structure-specific 3D QSAR analysis with novel methodologies like kNN-MFA
- Identification of regions and type of substitution in the given set of molecules for enhancing the activity
- Activity prediction using regression for combinatorial library
- State of the art G-QSAR analysis offering molecular fragment or site specific improvements
Custom Research and Software Solutions
We offer customization and development services for research-enabling software. Our partner company in India has proven expertise for designing and developing custom-specific software systems for research applications.
Their technical capabilities facilitate transferring research ideas into products or software utilities that either plug-in to their software platform or work independently. Their expertise in multiple knowledge domains and cutting-edge technologies makes software services meet the complex requirements of science within affordable cost and demanding timelines.
Other Drug Discovery Services
Optimum Route Services
This is a comprehensive service to recommend alternate routes to synthesize target molecules including Active Pharmaceutical Ingredients - API and Advanced intermediates- AI, drug and drug intermediate molecules, fine chemicals and specialty chemicals.
This service by our Indian partner analyses synthetic routes to determine the best possible route by using expert knowledge and legacy information and comes back with a detailed easy to understand report that provides a guidance as to how a molecule should be synthesized. The decision is supported by the rich reaction database which covers exhaustively all types of reactions and transformation techniques ranging from simple pot boiling to complex multi-component multi-processes, green processes including those catalyzed by enzymes, homogeneous and heterogeneous catalysts, microwave promoted reactions, as well as ionic liquids used as solvents ...more
Other Services For Drug Discovery and Pharma Industry
Aimed at companies in the US , West, and in developed countries, we offer a suite of services to the pharmaceutical and Drug Discovery Companies as part of our IndiaConnect Services. These include:
- Contract Research, Product Development, Process Development, and scale-up studies ...details
- Contract Manufacturing (for pharmaceuticals, APIs, medical and diagnostic devices and kits) in gm / kilo / ton quantities
- Drug Discovery Services including optimum route services and drug design services
- Arranging for pre-clinical, and clinical studies in India at a fraction of the cost of what it takes to get these done in the west ...details
- Custom software development for your drug discovery and research efforts
- India entry service to help you sell your products in India via setting up your subsidiary, or finding a marketing / licensing / joint venture partner, as part of our IndiaConnect services ...details
Contact Us to Discuss Your Needs
If you are in the drug discovery area, let us help you become more efficient and help you do more with our services. Contact us today to discuss your needs.