MedGraph - Rubie TM
Accelerating Drug Repurposing With AI-Driven Precision
AI-powered drug repurposing platform that integrates knowledge graphs, docking simulations & ML to identify novel drug-target interactions. With extensive compound screening capabilities, it enhances lead identification and optimization for faster, more effective therapeutic discovery
Why Choose MedGraph -
Rubie TM
Revolutionizing Drug Repurposing With Data & AI
Comprehensive Screening
Screen FDA-approved, investigational and PubChem/ChEMBL compounds against target proteins
Knowledge Graph Insights
Leverage structured data repositories to uncover drug repositioning opportunities
AI-Driven
Docking
Advanced computational docking algorithms ensure precision in lead identification
FEP-Enabled Optimization
Free Energy Perturbation (FEP) simulations provide atomic-level accuracy for binding affinity predictions
Scalable and High-Performance
HPC-parallel computing allows efficient large-scale screening for novel drug-target interactions
Core Features
Smart, Scalable & AI-Powered Drug Discovery
Knowledge Graph-Based Discovery
Integrates biological databases and extracts meaningful insights using AI to predict new drug applications and repositioning opportunities.
Integrates FDA-approved drugs, clinical trial data, and research literature
AI-powered extraction of meaningful insights
Predicts new drug applications and repositioning opportunities
Multiple Screening Libraries
Expanding the Scope of Drug Discovery Through Diverse Compound Libraries
FDA-Approved Drug Library
A curated collection of drugs already approved for human use, allowing for rapid clinical translation
Investigational Drug Library
Includes experimental compounds in clinical trials with known pharmacokinetic and safety profiles
PubChem & ChEMBL Compound Libraries
Publicly available chemical repositories containing millions of bioactive molecules
Custom Screening Libraries
Users can input proprietary or selected compound sets for specialized screening applications
Databases Used in MedGraph - RubieTM
DrugBank
A comprehensive resource containing chemical, pharmacological, and clinical data on drugs.
ClinicalTrials.gov
Provides real-time insights into ongoing and completed clinical trials, linking investigational drugs to diseases.
BindingDB
Contains measured binding affinities between small molecules and proteins, critical for drug-target interaction studies.
Open Targets
Links genes, diseases, and drug interactions to enhance disease-target mapping.
Gene
Expression
Supplies transcriptomic data to analyze differential gene expressions related to diseases and treatments.
STRING
Database
Provides protein-protein interaction networks, helping in target validation for repurposed drugs.
Research Literature
Extracts knowledge from peer-reviewed scientific publications using NLP-based text mining.
Kyoto Encyclopedia
Maps pathways to understand drug-induced biological responses.
Our Process
A Seamless AI-Driven Drug Discovery Workflow
Data Ingestion & Curation
Comprehensive collection and standardization of biological data from multiple sources
Target-Based & Reverse Docking
Advanced computational screening using AI-powered docking algorithms
Post-Docking Refinement
Sophisticated analysis and optimization of docking results
FEP Simulations
Precise binding affinity predictions using molecular dynamics
Report Generation
Detailed analysis and visualization of results
Key Applications
Transforming Drug Repurposing Across Therapeutic Areas
Oncology
Identify new drug candidates for tumor suppression and immune modulation
Infectious Diseases
Discover antiviral and antibacterial applications for known compounds
Rare Diseases
Find alternative therapies for under-researched conditions
Neurological Disorders
Repurpose existing drugs for neurodegenerative disease interventions
Our Advanced Platform
Discover our platform's capabilities with advanced features that drive efficiency & accelerate drug discovery
Contact Us For Demo
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