Ira Arundina, - and Neni Frimayanti, - and Meircurius Dwi Condro Surboyo, - and Theresia Indah Budhy S., - and Benni Iskandar, - and Arya Pradana, - and Tytania Rahmaputry, - (2022) In Silico Study of Liquid Smoke Rice Husk against COVID-19. European Journal of Dentistry, 2. pp. 1-5. ISSN 1305-7456

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Abstract

Objectives Liquid smoke rice husk has been researched and proved to consist of antibacterial, analgesic, anti-inflammatory, and growth factor stimulatory properties. By these complex properties, the liquid smoke rice hull is able to purpose as a novelcoronavirus disease 2019 (COVID-19) inhibitor. The research was conducted to analyze the role of the dominant compound in rice husk liquid smoke against one of the main proteases in complex with inhibitor N3 of COVID-19 and 6LU7 protein data bank (PDB) ID. Material and Methods The Molecular Operating Environment (MOE) 2020.0901 (Chemical computing group) was used to analyzed the interaction. The molecular structure test, including phenol, mequinol, 2-methoxy-phenol, 6-octadecenoic acid, oleic acid, 9-cctadecenoic acid, was chosen. The lopinavir as positive control and 6LU7 as COVID-19 protein were chosen. All the protein analyses were conducted using docking molecular. Result The phenol, 2-methoxy-phenol, mequinol and 9-octadecenoic acid have higher binding free energy that causes difficult to bind to the active site of protein 6LU7 (-3.4758, -3.5509, -3.6845, and -5.0173 kcal/mol, respectively). The minor component of liquid smoke, such as 6-octadecenoic acid and oleic acid, has the binding free energy (-5,5327 and-5,4208 kcal/mol) and more factor of binding presumably as active COVID-19 inhibitor. Conclusion The liquid smoke rice husk has active component like 6-octadecenoic acid and oleic acid are presumably as active COVID-19 inhibitor.

Item Type:	Article
Subjects:	R Medicine R Medicine > RK Dentistry
Divisions:	02. Fakultas Kedokteran Gigi > Oral Biology
Creators:	Creators NIM Ira Arundina, - NIDN0028107102 Neni Frimayanti, - - Meircurius Dwi Condro Surboyo, - NIDN0030059010 Theresia Indah Budhy S., - NIDN0007066104 Benni Iskandar, - - Arya Pradana, - - Tytania Rahmaputry, - -
Depositing User:	Rudy Febiyanto
Date Deposited:	16 Apr 2023 03:23
Last Modified:	16 Apr 2023 03:23
URI:	http://repository.unair.ac.id/id/eprint/123588
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