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CC BY 4.0 · Eur J Dent 2023; 17(02): 492-496
DOI: 10.1055/s-0042-1750776
Original Article

In Silico Study of Liquid Smoke Rice Husk against COVID-19

Ira Arundina
1   Department of Oral Biology, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia
,
Neni Frimayanti
2   Sekolah Tinggi Ilmu Farmasi, Pekanbaru, Riau, Indonesia
,
Meircurius D. C. Surboyo 
3   Department of Oral Medicine, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia
,
Theresia I. Budhy
4   Department of Oral Pathology and Maxillofacial, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia
,
Benni Iskandar 
2   Sekolah Tinggi Ilmu Farmasi, Pekanbaru, Riau, Indonesia
5   School of Pharmacy, College of Pharmacy, Taipei Medical University, Taipei, Taiwan
,
Arya Pradana
6   Bachelor Dental Science Program, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia
,
Tytania Rahmaputry
6   Bachelor Dental Science Program, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia
› Institutsangaben Funding This work is supported by Ministry of Higher Education Republic of Indonesia in the Schema Penelitian Dasar (PD) in 2021 with grant number: 310/UN3.15/PT/2021.
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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 novel coronavirus 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.

Keywords

liquid smoke - rice husk - coronavirus disease 2019 - infectious disease - in silico


Publikationsverlauf

Artikel online veröffentlicht:
08. September 2022

© 2022. The Author(s). This is an open access article published by Thieme under the terms of the Creative Commons Attribution License, permitting unrestricted use, distribution, and reproduction so long as the original work is properly cited. (https://creativecommons.org/licenses/by/4.0/)

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