COVID-19 is a disease caused by SARS-CoV2 that had spread in 218 countries. The use of bioactive compound- based antivirals needed to be considered for COVID-19 treatment. One of the potential bioactive ingredients in COVID- 19 treatment is chlorogenic acid of white turmeric (Curcuma zedoaria). One of target proteins for chlorogenic acid is Angiotensin Converting Enzyme-2 (ACE2) which is associated with the SARS-CoV2 infection pathway. A strategy that could be used for COVID-19 drugs design was by inhibiting ACE2, a viral receptor, using chlorogenic acid compounds from white turmeric. This study was aimed to predict chlorogenic acid compounds of white turmeric to inhibit ACE2 through reverse docking. Docking was done with Pyrx and visualized with PyMol and Discovery Studio software. Data gained from software and webserver were analyzed descriptively and compared with three control compounds. The results of this study concluded that chlorogenic acid from white turmeric could be recommended as oral COVID-19 drugs candidate.
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24 January 2023
THE 4TH INTERNATIONAL CONFERENCE ON LIFE SCIENCE AND TECHNOLOGY (ICoLiST)
31 August 2021
Malang, Indonesia
Research Article|
January 24 2023
In silico analysis of white turmeric cholorogenic acid compound as angiotensin-converting Enzyme-2 (ACE2) inhibitor for COVID-19 drug candidate Available to Purchase
Nurul Ahillah;
Nurul Ahillah
a)
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang
, Jl. Semarang 5, Malang, 65145, Indonesia
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Mohamad Amin;
Mohamad Amin
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang
, Jl. Semarang 5, Malang, 65145, Indonesia
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Sri Rahayu Lestari
Sri Rahayu Lestari
b)
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang
, Jl. Semarang 5, Malang, 65145, Indonesia
b)Corresponding author:[email protected]
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Nurul Ahillah
a)
Mohamad Amin
Sri Rahayu Lestari
b)
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang
, Jl. Semarang 5, Malang, 65145, Indonesia
b)Corresponding author:[email protected]
AIP Conf. Proc. 2634, 020076 (2023)
Citation
Nurul Ahillah, Mohamad Amin, Sri Rahayu Lestari; In silico analysis of white turmeric cholorogenic acid compound as angiotensin-converting Enzyme-2 (ACE2) inhibitor for COVID-19 drug candidate. AIP Conf. Proc. 24 January 2023; 2634 (1): 020076. https://doi.org/10.1063/5.0111657
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