EGFRIndb: Epidermal Growth Factor Receptor Inhibitor Database
Inderjit S. Yadav, Harinder Singh, Mohd. Imran Khan, Ashok Chaudhury, G.P.S. Raghava and Subhash M. Agarwal
Affiliation: Bioinformatics Division, Institute of Cytology and Preventive Oncology, I-7, Sector-39, Noida- 201301, India.
Keywords: Database, Epidermal growth factor receptor, cancer, tyrosine kinase inhibitors, dual inhibitors, irreversible inhibitors.
Background: Aberrant activity of epidermal growth factor receptor (EGFR) family proteins has been found to be associated
with a number of human cancers including that of lung and breast. Consequently, the search for EGFR family inhibitors, a well
established target of pharmacological and therapeutic value has been ongoing. Therefore, over the years several small molecules, which
compete for ATP in the kinase domain have been synthesised and some of them have proved to be effective in attenuating EGFR
mediated proliferation. Thus, there exists in literature a vast amount of experimental data on EGFR tyrosine kinase inhibitors. In this
paper, we describe a comprehensive database EGFRIndb that contains details of the small molecular inhibitors of EGFR family.
Description: EGFRIndb is a literature curated database of small synthetic molecular inhibitors of EGFR. It consists of 4581 compounds
showing in vitro inhibitory activities (IC50, IC80, GI50, GI90, EC50, Ki, Kd and percentage inhibition) either against EGFR or its different
isoforms i.e. Erbb2 (v-erb-b2 avian erythroblastic leukaemia viral oncogene homolog 2) and Erbb4 (v-erb-b2 avian erythroblastic
leukaemia viral oncogene homolog 4) or various mutants. For each compound, database provides information on structure,
experimentally determined inhibitory activity of compound against kinase as well as various cell lines, properties (physical, elemental
and topological) and drug likeness. Additionally, it provides information on irreversible as well as dual inhibitors that have gained
importance in recent years due to the emergence of clinical resistance to known drugs. As compound activity against similar kinases is a
measure of its selectivity and specificity, the database also provides this information. It also provides simple search, advanced search,
browse facility as well as a tool for structure based searching.
Conclusion: EGFRIndb gathers biological and chemical information on EGFR inhibitors from the literature. It is hoped that it will serve
as a useful resource in drug discovery and provide data for docking, virtual screening and Quantitative structure–activity relationship
(QSAR) model development to the cancer researchers.
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