2. Academic Validation
  3. Molecular modeling study bioactive natural product of khellin analogues as a novel potential pharmacophore of EGFR inhibitors

Molecular modeling study bioactive natural product of khellin analogues as a novel potential pharmacophore of EGFR inhibitors

  • J Enzyme Inhib Med Chem. 2013 Dec;28(6):1171-81. doi: 10.3109/14756366.2012.719504.
Abdel-Sattar S Hamad Elgazwy 1,  Mastoura M Edrees,  Nasser S M Ismail
Affiliations

Affiliation

  • 1 Department of Chemistry, Faculty of Science, Ain Shams University , Abbassia, Cairo , Egypt.
PMID: 23025406 DOI: 10.3109/14756366.2012.719504
Abstract

Khelline is naturally occurring furochromone exhibited significant Epidermal Growth Factor Receptor (EGFR) inhibitory activity. The newly synthesized compounds 2-5 displayed the most potent EGFR inhibitory activity on MCF-7 and HeLa. In vitro study against 59 different human tumour cell lines derived from nine Cancer type in NCI (USA), which was presented and documented. Molecular docking simulation was performed to position compounds 1-5 into the EGFR active site to determine the probable binding mode.

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