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ynthesis of 2-phenyl-4H-benzo[d][1,3]oxazin-4-one and its Biological Activity Against A549 Cancer Cell Line through Methionyl-tRNA Synthetase Inhibition Approach on in-silico Studies.
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| Author:
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DINI KESUMA, GALIH SATRIO PUTRA , TEGAR ACHSENDO YUNIARTA, MELANNY IKA SULISTYOWATY, SISWANDONO , TUTUK BUDIATI
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| Abstract:
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Purpose: The research aimed to synthesis of 1,3-benzoxazinone ring and evaluated their anticancer activity against
human lung cancer (A549) and also their molecular docking studies approach, through methionyl-tRNA synthetase
inhibition.
Methodology: The obtained 2-phenyl-4H-benzo[d][1,3]oxazin-4-one was evaluated by 1D NMR (1H-NMR and13CNMR),
FTIR and UV spectra. The biological anticancer activity was evaluated by MTT Assay against human lung
cancer (A549). Molecular docking studies was performed by Molegro Virtual Docker (MVD) version 5.5.The
molecule target was docked into the active site on Methionyl-tRNA Synthetase (MRS),that was downloaded
fromwww.pdb.org with PDB; ID 1PG2.
Results: Based on the spectra data (1H-NMR, 13C-NMR, FTIR dan UV) 2-phenyl-4H-benzo[d][1,3]oxazin-4-one
obtained was considered in very good yield (90 %±2%’ n=6). Their anticancer activity throughout MTT assay
method against A549 cancer cell line, showed the inhibitory concentration (IC50) of 65.43 ±2.7 µg/mL. Meanwhile
the result from molecular docking studies indicated that their rerank score of -76.04 Kcal/mol was higher than its
native ligand (-93.50 Kcal/mol).
Conclusion: The compound 3 is potential to be developed as anticancer agent, so we need to optimize
furthermore with another substituent to increase its activity toward A549 cell.
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| Keyword:
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Synthesis, anticancer, in-silico, MTT Assay, 1,3-benzoxazinone ring
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| EOI:
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| DOI:
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| Download:
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