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INTERNATIONAL JOURNAL OF PHARMACEUTICAL RESEARCH

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Published by : Advanced Scientific Research
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0975-2366
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IJPR 9[3] July - September 2017 Special Issue

July - September 9[3] 2017

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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.

Author: DINI KESUMA, GALIH SATRIO PUTRA , TEGAR ACHSENDO YUNIARTA, MELANNY IKA SULISTYOWATY, SISWANDONO , TUTUK BUDIATI
Abstract: 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.
Keyword: Synthesis, anticancer, in-silico, MTT Assay, 1,3-benzoxazinone ring
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