Jurnal Biodjati 8(1):163–171, May 2023
http://journal.uinsgd.ac.id/index.php/biodjati
e-ISSN : 2541-4208
p-ISSN : 2548-1606
In Silico Analysis of Catechin, Galangin, and Hesperidin as Competitors of
the SARS-CoV-2 Spike Protein
Astuti Kusomorini
*1
, Nisrina Hasna
2
, Yani Suryani
3
, Opik Taufqurrahman
4
INTRODUCTION
SARS-CoV-2 is a zoonotic virus that
spreads from animals to humans via the An-
giotensin-converting Enzyme 2 (ACE-2) re-
ceptor (Guo et al., 2020). This virus has mu-
tated into several variants, including Alpha
(B.1.17), Beta (B.1.351), Delta (B.1.617.2),
Omicron (B.1.1.529), and others (Indone-
sian Ministry of Health, 2020). Patients with
this disease exhibit mild to moderate symp-
toms such as fever, headache, dry cough, sore
throat, and blown or breathlessness (Sohrabi
et al., 2020; Su et al., 2020). Angiotensin-con-
verting enzyme-2 (ACE-2) is a type 1 integral
membrane protein expressed in some tissues,
including the heart, respiratory tract, and di-
gestive tract. This protein is the virus's frst
contact point with the human body's cells
(Basu et al., 2020).
Coronavirus disease-2019 (COVID-19)
patients are treated medically by reducing
symptoms, such as administering antivirals.
Favipiravir is an antiviral compound used
Citation
Kusumorini, A., Hasna, N., Suryani, Y. & Taupiqurrohman, O. (2023). In Silico Analysis of Cat-
echin, Galangin, and Hesperidin as Competitors of The SARS-CoV-2 Spike Protein. Jurnal Bio-
djati, 8(1), 163–171.
DOI: 10.15575/biodjati.v8i1.24521
*Corresponding author
Abstract. Currently, Covid-19 has become endemic. However, the de-
velopment of Covid-19 drugs continues to be carried out to suppress
the growth of the Sars-Cov-2 virus. Some compounds with antiviral
activity are catechin, galangin, and hesperidin. Angiotensin-convert-
ing enzyme-2 (ACE-2) is a protein that enters viruses into the cell.
Based on that, ACE-2 can be used as a primary target to suppress
the development of the Sars-Cov-2 virus. This study aimed to test the
catechin, galangin, and hesperidin compounds in inhibiting the SARS
CoV-2 virus from attaching to ACE-2 by trying the interactions of
catechin, galangin, and hesperidin compounds with ACE-2 using the
in-silico method. The material used was the three-dimensional struc-
ture of the compounds catechin, galangin hesperidin, and ACE-2. The
tools used were FAF-Drugs4, Discovery Studio, and Pyrex software.
Low-afnity energy values (kcal/mol) indicate promising results. The
results showed that the energy afnity value of catechin was -6.2 kcal/
mol, galangin was -6.3 kcal/mol, and hesperidin was -8.3 kcal/mol.
This value is lower than the control afnity energy (chloroquine and
favipiravir), which is -5.2 kcal/mol and -4.8 kcal/mol, respectively.
Based on this, catechin, galangin, and hesperidin can be used as in-
hibitors/competitors for the Sars-Cov-2 to attach to ACE-2.
Keywords: ACE-2, COVID-19, favonoid, molecular docking, SARS-
CoV-2
1,2,3
Department of Biology, Faculty of
Science and Technology UIN Sunan
Gunung Djati, Bandung 40614
e-mail:
1*
astutiAuinsgd.ac.id
2
nisriniahasna14@gmail.com
3
yani.suryani@uinsgd.ac.id
4
otaupiqurrohman@gmail.com
Received: 11 February, 2023
Revise from: 20 February, 2023
Accepted: 09 May, 2023
Copyright © 2023 Jurnal Biodjati
This is an open access article under the CC BY-NC-ND license (https://creativecommons.org/licenses/by-nc-nd/4.0/)