EGFRIndb: epidermal growth factor receptor inhibitor database.

Area of Science:

• Oncology
• Pharmacology
• Biochemistry

Background:

• Aberrant epidermal growth factor receptor (EGFR) family activity is linked to human cancers like lung and breast cancer.
• Small molecules targeting the EGFR kinase domain are crucial for inhibiting cancer cell proliferation.
• Extensive experimental data exists on EGFR tyrosine kinase inhibitors.

Purpose of the Study:

• To introduce EGFRIndb, a comprehensive database of small molecular inhibitors targeting the EGFR family.
• To consolidate and organize available literature data on EGFR inhibitors for research accessibility.

Main Methods:

• EGFRIndb is a literature-curated database containing 4581 small synthetic molecular inhibitors of EGFR.
• It includes in vitro inhibitory activities, compound structures, physical/elemental/topological properties, and drug likeness.
• The database also provides information on irreversible and dual inhibitors, selectivity data, and search functionalities.

Main Results:

• The database compiles detailed information on 4581 EGFR inhibitors.
• It includes diverse inhibitory activity metrics (IC50, Ki, etc.) against EGFR, its isoforms (Erbb2, Erbb4), and mutants.
• Information on compound properties, selectivity, and inhibitor types is systematically presented.

Conclusions:

• EGFRIndb serves as a valuable resource for cancer drug discovery.
• The database facilitates docking, virtual screening, and Quantitative Structure-Activity Relationship (QSAR) model development.
• It consolidates critical biological and chemical data on EGFR inhibitors from scientific literature.