Synthesis of 2-phenyl-4H-benzo[d][1,3]oxazin-4-one and Their Biological Activity Against A549 Cancer Cell Line through Methionyl-tRNA Synthetase Inhibition Approach on in-silico Studies

Kesuma, Dini and Putra, Galih Satrio and Yuniarta, Tegar Achsendo and Sulistyowaty, Melanny Ika and Siswandono, Siswandono and Budiati, Tutuk (2020) Synthesis of 2-phenyl-4H-benzo[d][1,3]oxazin-4-one and Their Biological Activity Against A549 Cancer Cell Line through Methionyl-tRNA Synthetase Inhibition Approach on in-silico Studies. International Journal Of Pharmaceutical Research, 11 (1 Supp). ISSN 0975-2366

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Abstract

Purpose: The research aims to synthesis of 1,3-benzoxazine 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 successful of synthesis process, obtained 2-phenyl-4H-benzo[d][1,3]oxazin-4-one was evaluated by 1D NMR (1H-NMR and 13C-NMR), 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 as a software. The molecule target was docked into the active side on Methionyl-tRNA Synthetase (MRS),that was downloaded from www.pdb.org with PDB; ID 1PG2. Results: based on all spectra data (1H-NMR, 13C-NMR, FTIR dan UV) obtained 2-phenyl-4H-benzo[d][1,3]oxazin-4-one in very good yield (90 %±2%’ n=6), their anticancer activity through MTT Assay Method against A549 Cancer Cell Line by triplicate, obtained IC50= 65.43 ±2.7 μg/mL and the result of molecular docking studies their rerank score -76.04 Kcal/mol, more higher than its native ligand (-93.50 Kcal/mol).

Item Type:	Article
Uncontrolled Keywords:	synthesis, anticancer, in-silico, MTT Assay, 1,3-benzoxazine ring
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Faculty of Pharmacy > Department of Pharmacy
Depositing User:	Ester Sri W. 196039
Date Deposited:	18 Mar 2020 02:49
Last Modified:	07 Dec 2022 09:28
URI:	http://repository.ubaya.ac.id/id/eprint/37692

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