Proceedings of the International Conference on Science and Engineering (ICSE-UIN-SUKA 2021)

Molecular Docking Study of Active Compunds in Ginger as Inhibitor Against Covid-19

Authors
Priyagung Dhemi Widiakongko1, *, Darmawan Alisaputra1, Tawatchai Kangkamano2
1Department of Chemistry UIN Sunan Kalijaga Yogyakarta, Indonesia
2Department of Chemistry Thaksin University Thailand
*Corresponding author. Email: priyagung.widiakongko@uin-suka.ac.id
Corresponding Author
Priyagung Dhemi Widiakongko
Available Online 23 December 2021.
DOI
https://doi.org/10.2991/aer.k.211222.010How to use a DOI?
Keywords
COVID-19 virus; ginger; active compounds; molecular docking
Abstract

Molecular docking of the active compounds of ginger (Zingiber officinale) has been successfully carried out. This study aims to examine the potential inhibitor of ginger’s main active compounds in spike proteins on the COVID-19 virus. A total of 4 main active compounds in ginger, namely alpha-Curcumene, alpha-Farnesene, beta-Sesquiphellandrene, and Zingiberen, were studied individually for molecular docking of spike proteins in the Covid-19 virus. The results obtained were compared with the native ligand 7a94 extracted from the protein database. Molecular docking was also carried out on the combination of these active compounds. The results of this docking study indicate that α-Curcumene, α-Farnesene, β-Sesquiphellandrene, and Zingiberen have a higher affinity than the native ligands. Combinational docking α-Curcumene, α-Farnesene, β-Sesquiphellandrene, and Zingiberen against spike protein COVID-19 virus has a better affinity of -59.567 kcal better than native ligands of -50.053 kcal. The results of this study indicate that the main active compounds in ginger and their combination has the potential to inhibit the COVID-19 virus activity in the human body.

Copyright
© 2021 The Authors. Published by Atlantis Press International B.V.
Open Access
This is an open access article under the CC BY-NC license.

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Volume Title
Proceedings of the International Conference on Science and Engineering (ICSE-UIN-SUKA 2021)
Series
Advances in Engineering Research
Publication Date
23 December 2021
ISBN
978-94-6239-494-0
ISSN
2352-5401
DOI
https://doi.org/10.2991/aer.k.211222.010How to use a DOI?
Copyright
© 2021 The Authors. Published by Atlantis Press International B.V.
Open Access
This is an open access article under the CC BY-NC license.

Cite this article

TY  - CONF
AU  - Priyagung Dhemi Widiakongko
AU  - Darmawan Alisaputra
AU  - Tawatchai Kangkamano
PY  - 2021
DA  - 2021/12/23
TI  - Molecular Docking Study of Active Compunds in Ginger as Inhibitor Against Covid-19
BT  - Proceedings of the International Conference on Science and Engineering (ICSE-UIN-SUKA 2021)
PB  - Atlantis Press
SP  - 61
EP  - 68
SN  - 2352-5401
UR  - https://doi.org/10.2991/aer.k.211222.010
DO  - https://doi.org/10.2991/aer.k.211222.010
ID  - Widiakongko2021
ER  -