Abstract
1,3-Bis-3-(4-chlorophenyl)-2,3-dihydroquinazolin-4(1H)-on-2-thioxopropane (C), a quinazoline derivative was synthesized and well-characterized in order to evaluate its potential to act as VEGFR-2 and Aurora kinase inhibitor. H-1 NMR, elemental analysis and FT-IR confirmed the structure of the synthesized compound (C). Since, VEGFR-2 plays a crucial role in angiogenesis, it is hence a significant pharmaceutical target for the development of anti-angiogenic agents. While on the other hand, AURKA is an enzyme that is believed to induce normal cell proliferation and is encoded with over-expression witnessed in various types of malignant cancers. The electrostatic potential and the molecular geometry of the conformers 1-3, was demonstrated by DFT calculations. The results of which, revealed that the syn conformer 3 was the most stable. The molecular docking studies gave a brief insight about the binding of the conformer 3, also suggesting its potential to act as dual inhibitor, that inhibits VEGFR-2 and Aurora kinase, thereby could play an important role in cancer inhibition.
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