ISSN: 0973-7510

E-ISSN: 2581-690X

Research Article | Open Access
Hasriaton Padmi1,2, Viol Dhea Kharisma3, Arif Nur Muhammad Ansori4,
Mada Triandala Sibero5, Muhammad Hermawan Widyananda3,6,
Md. Emdad Ullah7, Olga Gumenyuk8, Svetlana Chylichcova8,
Natalia Bratishko9, Eka Sunarwidhi Prasedya1,2, Teguh Hari Sucipto10
and Rahadian Zainul11
1Department of Biology, Faculty of Mathematics and Natural Sciences, Mataram University, Mataram, Indonesia.
2Bioscience and Biotechnology Research Centre, Faculty of Mathematics and Natural Sciences, Mataram University, Mataram, Indonesia.
3Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia.
4Professor Nidom Foundation, Surabaya, Indonesia.
5Department of Marine Science, Faculty of Fisheries and Marine Science, Universitas Diponegoro, Semarang, Indonesia.
6Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia.
7Department of Chemistry, Mississippi State University, Mississippi State, United States.
8Department of Natural Sciences, South Ural State Agrarian University, Troitsk, Russian Federation.
9K.G. Razumovsky Moscow State University of Technologies and Management (The First Cossack University), Moscow, Russian Federation.
10Dengue Study Group, Institute of Tropical Disease, Universitas Airlangga, Surabaya, Indonesia.
11Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia.
J Pure Appl Microbiol. 2022;16(2):1018-1027 | Article Number: 7470
https://doi.org/10.22207/JPAM.16.2.26 | © The Author(s). 2022
Received: 06/12/2021 | Accepted: 23/03/2022 | Published online: 17/05/2022
Issue online: June 2022
Abstract

Coronavirus disease (COVID-19), which was due to novel coronavirus was detected in December 2019 in Wuhan, China for the first time and spread rapidly became a global pandemic. This study aimed to predict the potential of macroalgae compounds as SARS-CoV-2 antiviral by inhibiting of ACE2 receptor through in silico approach. Twenty-seven macroalgae compounds were obtained from PubChem (NCBI, USA), while target protein ACE2 receptor was collected from Protein Data Bank (PDB). Then the initial screening study drug-likeness conducted by Lipinski rule of five web server and prediction of bioactive probability carried out by PASS (Prediction of activity spectra for biologically active substances) Online web server. After those compounds were approved by Lipinski’s rule of five and PASS online prediction web server, the blind docking simulation was performed using PyRx 0.8 software to show binding energy value. Molecular interaction analysis was done using BIOVIA Discovery Studio 2016 v16.1.0 and PyMOL v2.4.1 software. There are six macroalgae compounds approved by Lipinski’s rule of five and PASS Online Analysis. The result is that macroalgae compound siphonaxanthin among 27 macroalgae compound showed strong binding energy to bind ACE2 receptor with -8.8 kcal/mol. This study also used the SARS-CoV-2 drugs as positive control: remdesivir, molnupiravir, baricitinib, lopinavir, oseltamivir, and favipiravir. The result shows that siphonaxanthin has lowest binding energy than the common SARS-CoV-2 drug. Macroalgae compounds are predicted to have potential as SARS-CoV-2 antiviral. Thus, extension studies need to investigate by in vitro and in vivo analysis for confirmation the siphonaxanthin’s inhibitory activity in combat SARS-CoV-2.

Keywords

Antiviral, COVID-19, Macroalgae, Medicine, SARS-CoV-2

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