Abstract

DESIGN, SYNTHESIS, MOLECULAR DOCKING STUDIES OF NOVEL ISATIN DERIVATIVES AND IN VITRO ANTICANCER ACTIVITY AGAINST EGFR RECEPTOR

Sinduja Perumalla* and Dr. Ashok Dongamanti

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Abstract

The present work deals with the sequence of 5-substituted-3-[2- (phenyl) hydrazinylidene]-1-[(1,2,4-triazol-4-yl) acetyl]-indol-2-one [(Scheme-I-4(a-o)] was synthesized by conventional method, and were screened as potential anticancer activity and molecular docking studies. All of the newly synthesized compounds structurally characterized on the basis of IR, 1HNMR and Mass spectral analysis. Further, were screened for anticancer activity against MCF-7 cell lines by MTT assay method. The results showed that some of the compounds 4f and 4h exhibited good anticancer activity by comparing standard drug. Additionally, the molecular docking studies of (3Z)-5- substituted-3-[2-(4-methoxyphenyl)hydrazinylidene]-1-[(4H-1,2,4- triazol-4-yl) acetyl]-1,3-dihydro-2H-indol-2-one derivatives was carried out to explain putative bonding interaction between the active site of EGFR enzyme and potent inhibitors by using AUTODOCK VINA with PDB ID: 1M17. All the docked ligands, reported lowest binding energy between -11.7 to -8.4 Kcal/mol. Compounds 4b & 4h possess excellent bonding score were comparison with other synthesized derivatives.

Keywords: Indole-1,2-dione, Triazol, Phenyl hydrazine, Anticancer Activities, MCF7 Doxorubicin, EGFR and AUTODOCK VINA.