In Silico Study of Liquid Smoke Rice Husk against COVID-19
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. T...
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| Main Authors: | , , , , , , |
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| Format: | Article PeerReviewed |
| Language: | English English English Indonesian |
| Published: |
Georg Thieme Verlag
2022
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| Subjects: | |
| Online Access: | https://repository.unair.ac.id/123588/1/3A.pdf https://repository.unair.ac.id/123588/2/3T.pdf https://repository.unair.ac.id/123588/3/3.pdf https://repository.unair.ac.id/123588/8/in%20silico.pdf https://repository.unair.ac.id/123588/ https://doi.org/ 10.1055/s-0042-1750776. |
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| Institution: | Universitas Airlangga |
| Language: | English English English Indonesian |
| Summary: | 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. |
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