npact : Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

npact : Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase provides a manually curated database of experimentally validated plant-derived anticancer compounds with chemical structures, activity measurements (IC(50), ED(50), EC(50), GI(50)), and mapped protein targets.

Key Features:

• Comprehensive Data Collection: Includes chemical structure information and manually curated experimental activity data from published literature, including IC(50), ED(50), EC(50), and GI(50) values.
• Diverse Attributes: Provides physical characteristics, elemental composition, topological features, and drug-likeness profiles for each compound.
• Targeted Information: Specifies cancer types targeted by each compound, relevant experimental cell lines, and specific protein targets affected by compound activity.
• Supplier and Commercial Data: Records information on commercial suppliers for each compound.
• Integration with Other Databases: Hyperlinks records to SuperNatural, Herbal Ingredients' Targets, Comparative Toxicogenomics Database, PubChem, and NCI-60 GI(50) data.

Scientific Applications:

• Natural product drug discovery: Supports identification of novel therapeutic candidates from plant-derived anticancer compounds.
• Mechanism-of-action analysis: Enables exploration of protein targets and cell-line activity to investigate mechanisms of anticancer activity.
• Experimental design and hypothesis generation: Provides curated activity measurements and compound attributes to inform experimental planning.
• Cross-database contextualization: Facilitates integration with SuperNatural, Herbal Ingredients' Targets, Comparative Toxicogenomics Database, PubChem, and NCI-60 GI(50) data for broader analyses.

Methodology:

Data were collected and compiled from scientific publications and manually curated to include only experimentally validated plant-derived compounds.