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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Georg Thieme Verlag
2022
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id-langga.1235882023-04-16T03:23:46Z https://repository.unair.ac.id/123588/ In Silico Study of Liquid Smoke Rice Husk against COVID-19 Ira Arundina, - Neni Frimayanti, - Meircurius Dwi Condro Surboyo, - Theresia Indah Budhy S., - Benni Iskandar, - Arya Pradana, - Tytania Rahmaputry, - R Medicine RK Dentistry 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. Georg Thieme Verlag 2022 Article PeerReviewed text en https://repository.unair.ac.id/123588/1/3A.pdf text en https://repository.unair.ac.id/123588/2/3T.pdf text en https://repository.unair.ac.id/123588/3/3.pdf text id https://repository.unair.ac.id/123588/8/in%20silico.pdf 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 https://doi.org/ 10.1055/s-0042-1750776. |
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R Medicine RK Dentistry Ira Arundina, - Neni Frimayanti, - Meircurius Dwi Condro Surboyo, - Theresia Indah Budhy S., - Benni Iskandar, - Arya Pradana, - Tytania Rahmaputry, - In Silico Study of Liquid Smoke Rice Husk against COVID-19 |
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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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Article PeerReviewed |
author |
Ira Arundina, - Neni Frimayanti, - Meircurius Dwi Condro Surboyo, - Theresia Indah Budhy S., - Benni Iskandar, - Arya Pradana, - Tytania Rahmaputry, - |
author_facet |
Ira Arundina, - Neni Frimayanti, - Meircurius Dwi Condro Surboyo, - Theresia Indah Budhy S., - Benni Iskandar, - Arya Pradana, - Tytania Rahmaputry, - |
author_sort |
Ira Arundina, - |
title |
In Silico Study of Liquid Smoke Rice Husk against
COVID-19 |
title_short |
In Silico Study of Liquid Smoke Rice Husk against
COVID-19 |
title_full |
In Silico Study of Liquid Smoke Rice Husk against
COVID-19 |
title_fullStr |
In Silico Study of Liquid Smoke Rice Husk against
COVID-19 |
title_full_unstemmed |
In Silico Study of Liquid Smoke Rice Husk against
COVID-19 |
title_sort |
in silico study of liquid smoke rice husk against
covid-19 |
publisher |
Georg Thieme Verlag |
publishDate |
2022 |
url |
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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1764209086655627264 |