Design, synthesis and biological evaluation of chrysin long-chain derivatives as potential anticancer agents

Synthesis, antitumor activity and molecular docking study of some novel 3-benzyl-4(3H)quinazolinone analogues

“…We assumed that the active target installed on 2.0G Core 2 Duo. The crystal structure of EGFR with erlotinib (TarcevaÔ) (PDB code: 1M17) 18,19,[29][30][31] was obtained from protein data bank (PDB). The automated docking program of MOE 2008.10 was used to dock compounds 7 and 8 along with the inhibitor erlotinib into ATP binding site of EGFR.…”

“…The automated docking program of MOE 2008.10 was used to dock compounds 7 and 8 along with the inhibitor erlotinib into ATP binding site of EGFR. The complexes were energy-minimized with a MMFF94 force field 31 till the gradient convergence 0.01 kcal/mol was reached. The binding energies of compounds 7, 8 and erlotinib docked into the active site of EGFR were À21.04, À22.56 and À24.00 kcal/mol, respectively ( Figure 4).…”

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“…EGFR over expression is also seen in ovarian cancer 9 . The thiourea and urea derivatives play important role in anticancer agents because of their good inhibitory activity against receptor tyrosine kinases (RTKs), protein tyrosine kinases (PTKs), and NADH oxidase, which play critical roles in many aspects of tumorigenesis.…”

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

“…To the best of our knowledge, few reports have been dedicated to the synthesis and EGFR inhibitory activity of furochromones containing thieno skeleton 17,18 . The present work deal with the synthesis and structure…”