TCMNPAS

TCMNPAS integrates network formulaology and network pharmacology to analyze traditional Chinese medicine by identifying core herbs, compounds, targets, and pathways and elucidating their molecular and network-level mechanisms.

Key Features:

• Network formulaology and network pharmacology integration: Integrates network formulaology and network pharmacology to explore compatibility characteristics and molecular mechanisms of TCM formulas.
• Prescription mining: Extracts core herbs and formulas from herbal prescription data using automated mining methods.
• Batch molecular docking and virtual screening: Performs batch molecular docking for virtual screening of active compounds against disease targets.
• Herb-compound-target-pathway network construction and analysis: Builds and analyzes networks linking herbs, compounds, targets, and pathways to characterize mechanistic relationships.
• Network-based association analysis: Conducts network-based association analyses to relate core formulas and clinical data to therapeutic targets.
• Visualization: Provides visualization of complex networks and interactions within TCM formulations.

Scientific Applications:

• Elucidation of combinatorial rules: Investigates the combinatorial rules and compatibility characteristics of TCM formulas at the network level.
• Mechanism-of-action analysis: Identifies molecular mechanisms of TCM efficacy by linking herbs and compounds to targets and pathways.
• Active compound and target discovery: Supports discovery and prioritization of active compounds and therapeutic targets through virtual screening and network analysis.

Methodology:

Uses prescription mining and data mining integrated with batch molecular docking/virtual screening, network construction of herb-compound-target-pathway relationships, network-based association analysis, and network visualization within a network formulaology and network pharmacology framework.