ApInAPDB

ApInAPDB catalogs 818 manually curated apoptosis-inducing anticancer peptides from the literature and provides their functional, binding, activity, physicochemical, and structural descriptors to support peptide-based cancer therapeutic research.

Key Features:

• Dataset size: Contains 818 peptides manually curated from peer-reviewed research articles.
• Functional and activity data: Records peptide function, binding targets, affinity values, and IC50 (half-maximal inhibitory concentration) data.
• Physicochemical properties: Calculates GRAVY (grand average of hydropathy), net charge at pH 7, and hydrophobicity for each peptide.
• Structural and QSAR descriptors: Includes 3D modeling, secondary structure prediction, and descriptors necessary for quantitative structure-activity relationship (QSAR) modeling.

Scientific Applications:

• Peptide design: Supports rational design and optimization of apoptosis-inducing anticancer peptides using calculated properties and structural descriptors.
• Drug candidate identification: Aids selection of promising peptide candidates for preclinical anticancer development based on activity and binding data.
• Mechanistic studies: Facilitates investigation of molecular mechanisms of apoptosis induction by correlating structure, physicochemical properties, and activity metrics.

Methodology:

Peptides were collected by manual curation from peer-reviewed research articles; physicochemical properties (GRAVY, net charge at pH 7, hydrophobicity) were calculated, and 3D modeling, secondary structure prediction, and QSAR descriptor generation were performed using established bioinformatics methods.