  Eidogen-Sertanty's Target Informatics Platform ™ (TIP™) is the world's
first structural informatics
system and knowledgebase that enables researchers with the ability to interrogate the druggable genome from a structural perspective. TIP™ amplifies the rapidly expanding body of experimental protein structure information and transforms structure-based drug
discovery from a low-throughput, data scarce discipline
into a high-throughput, data rich science. Designed
to help bridge the knowledge gap between bioinformatics
and cheminformatics, TIP™ supplies drug discovery researchers
with a knowledgebase of information that is both distinct
from and highly complementary to information furnished
by existing bio- and cheminformatics platforms. TIP's seamless integration of structural data management technology with unique target-to-lead calculation and analysis capabilities enhances all stages of the discovery pipeline.
TIP's™ Value to Drug Discovery
- Increase the Efficiency of Lead Discovery and Optimization
- TIP™ enables chemists to derive an unprecedented level of relevant structural information that can be used to integrate rational and hypothesis-driven analyses into current and future lead discovery and optimization projects:
- Quickly Identify Potential Leads using novel correlations
between new annotated binding sites and sites with known ligands.
- Improve Drug Selectivity with easy-to-use comparative binding
site analysis and visualization tools.
- Survey the Landscape of Target-Ligand Interactions across
an entire family of drug targets, maximizing the knowledge that can be derived
from structures with docked or co-crystallized ligands.
- Discover New Opportunities for Validated Targets and Compounds
- TIP™ furnishes reliable information about new opportunities and applications that can otherwise only be discovered via costly and time-consuming experimental efforts:
- Discover and Evaluate Novel Binding Sites in previously
validated and proven drug targets.
- Develop Lead Hopping and Target Hopping strategies using
pre-calculated similarities at the binding site, target-ligand interaction
fingerprint, or ligand levels.
- Increase the Overall Quality of the Target Portfolio
- TIP™ supplies druggability and selectivity information to support highly informed target selection and prioritization decisions:
- Quickly Understand Target Druggability based on a detailed
annotation of available small molecule binding sites and understanding of
gene family-wide similarity for targets of interest.
- Derive Maximum Value from the Distribution of Target Knowledge utilizing TIP's centralized system for managing all structure, binding site annotation, selectivity, and co-crystallized and docked ligand interactions for all targets of interest, across all members of a project team.
Example Drug Discovery Applications
(also summarized in our March 2004 Current Drug Discovery article)
- Target Prioritization Applications
- Target Druggability Assessment
- Binding Site Property Analysis
- Binding Site Selectivity Analysis
- SNP structural mapping and analysis
- Drug Resistance Mutation Analysis
- Animal Model Suitability Analysis
- Broad Spectrum Anti-Infective Target Analysis
- Lead Discovery Applications
- Novel Lead Fragment & Scaffold Discovery
- Binding Site Property Analysis & HTS Library Selection
- Structure-Based Library Design
- VLS Binding Mode Analysis
- Lead Optimization Applications
- Structure-Based Ligand Affinity Optimization
- Structure-Based Selectivity Optimization
- Structure-Based Broad Spectrum Anti-Infective Optimization
- Structure-Based Co-Inhibitor Affinity Optimization
- "Off-Target" Discovery and Analysis
- "Off-Target" Assay Panel Design
- Opportunity Discovery
- Novel Drug Rescue Opportunities
- Due to Drug-Induced Mutations
- Due to Poor Selectivity within a Family
- Due to "Off-Target" Interactions
- Novel Drug Redesign Opportunities
- Novel Drug Binding Site Opportunities
- Novel Co-Inhibition Opportunities
- Novel Anti-infective opportunities
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