EGFRIndb: Epidermal Growth Factor Receptor Inhibitor Database

ISSN: 1875-5992 (Online)
ISSN: 1871-5206 (Print)


Volume 14, 10 Issues, 2014


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Anti-Cancer Agents in Medicinal Chemistry

Formerly: Current Medicinal Chemistry - Anti-Cancer Agents

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  • 26th of 59 in Chemistry, Medicinal
  • 99th of 197 in Oncology

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Editor-in-Chief:
Michelle Prudhomme
Universite Blaise Pascal - C.N.R.S
Aubiere Cedex
France


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EGFRIndb: Epidermal Growth Factor Receptor Inhibitor Database

Author(s): 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

Abstract

Background: Aberrant activity of epidermal growth factor receptor (EGFR) family proteins has been found to be associated with a number of human cancers including 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 had 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 information on EGFR tyrosine kinase inhibitors. In this paper, we report a comprehensive database EGFRIndb that contains information 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 leukemia viral oncogene homolog 2) and Erbb4 (v-erb-b2 avian erythroblastic leukemia viral oncogene homolog 4) or various mutants. For each compound, database provides data 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 inhibitiors that have gained importance in recent years due to emergence of clinical resistance to known drugs. As compound activity against similar kinases is a measure of its selectivity and specificity, the database provide this information too. It also provides simple search, advanced search, browse facility as well as 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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Article Details

Volume: 14
First Page: 1
Last Page: 1
Page Count: 1
DOI: 10.2174/1871520614666140323203140
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