Putri Hamidah Khairunnisa, '- (2021) Docking Study Dan Sintesis 4-Formil-2-Metoksifenil 4-Metoksibenzoat Sebagai Senyawa Antara Asam 4-(4-Metoksi)Benzoiloksi-3-Metoksisinamat Dengan Iradiasi Gelombang Mikro. Skripsi thesis, Universitas Airlangga.

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Abstract

In this research, a molecular docking test was carried out on Ferulic Acid and its derivatives, 4-(4-methoxy)benzoyloxy-3-methoxycinnamic acid and its intermediate compound, 4-formyl-2-methoxyphenyl 4-methoxybenzoate, to examine its activity as an anti-COVID-19 through interaction with one of the non-structural protein of SARS-CoV-2, NSP-15 Endoribonuclease. The molecular docking process was carried out by Molegro Virtual Docker with the protein used was NSP-15 Endoribonuclease (PDB ID: 6VWW). The docking results show that 4-(4-methoxy)benzoyloxy-3-methoxycinnamic acid has a lower MolDock Score than Ferulic Acid (-149,0607 kkal/mol ± 1,4459), supports that structural modification of ferulic acid can increase its anti-COVID-19 activity. This research has also carried out the acylation reaction of vanilin with p-methoxybenzoyl chloride using microwave irradiation as the first step in the synthesis of ferulic acid derivatives through Knoevenagel condensation reaction. The purpose of this study was to examine the effect of the power used on rates of reaction. The synthesis was carried out using a power of 200 W, 280 W and 400 W. It was found that the 400 W power produced faster reaction with percentage of the product was 75,14%. The purity test was carried out by TLC and melting point test and it was found that the resulting compound was pure. The structure identification test using FT-IR Spectrophotometer and 1H-NMR Spectrophotometer also supported that the synthesized compound was 4-formyl-2-methoxyphenyl 4-methoxybenzoate.

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