Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARSCoV- 2: An In Silico Approach

ANM Ansori; VD Kharisma; AA Parikesit; FA Dian; RT Probojati; M Rebezov; P Scherbakov; P Burkov; G Zhdanova; A Mikhalev; Y Antonius; MRF Pratama; NI Sumantri; TH Sucipto; R Zainul

Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARSCoV- 2: An In Silico Approach

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Pharmacognosy Journal,2022,14,1,85-90.

DOI:10.5530/pj.2022.14.12

Published:February 2022

Type:Original Article

Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARSCoV- 2: An In Silico Approach

ANM Ansori¹, VD Kharisma², AA Parikesit³, FA Dian⁴, RT Probojati⁵, M Rebezov^6,7, P Scherbakov⁸, P Burkov⁹, G Zhdanova7, A Mikhalev⁷, Y Antonius¹⁰, MRF Pratama^11,12, NI Sumantri¹³, TH Sucipto¹⁴, R Zainul¹⁵,*

¹Doctoral Program of Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, INDONESIA.

²Master Program of Biology, Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, INDONESIA.

³Department of Bioinformatics, School of Life Sciences, Indonesia International Institute for Life Sciences, Jakarta, INDONESIA.

⁴Department of Biochemistry and Biotechnology, Faculty of Agronomy, Horticulture and Bioengineering, Poznan University of Life Sciences, Poznan, POLAND.

⁵Faculty of Agriculture, Universitas Kadiri, Kediri, INDONESIA.

⁶Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION.

⁷K.G. Razumovsky Moscow State University of Technologies and Management (The First Cossack University), Moscow, RUSSIAN FEDERATION.

⁸Department of Infectious Diseases and Veterinary, South Ural State Agrarian University, Troitsk, RUSSIAN FEDERATION.

⁹Center for Biotechnology of Animal Reproduction, South Ural State Agrarian University, Troitsk, RUSSIAN FEDERATION.

¹⁰Faculty of Biotechnology, University of Surabaya, Surabaya, INDONESIA.

¹¹Doctoral Program of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga, Surabaya, INDONESIA.

¹²Department of Pharmacy, Faculty of Health Sciences, Universitas Muhammadiyah Palangkaraya, Palangka Raya, INDONESIA.

¹³Biomedical Engineering Study Program, Department of Electrical Engineering, Faculty of Engineering, Universitas Indonesia, Depok, INDONESIA.

¹⁴Dengue Study Group, Institute of Tropical Disease, Universitas Airlangga, Surabaya, INDONESIA.

¹⁵Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, INDONESIA.

Abstract:

Severe acute respiratory syndrome coronavirus 2 (SARS‑CoV‑2) is the virus that causes COVID-19 which is responsible for respiratory illness infection in humans. The virus was first identified in China in 2019 and later spread to other countries worldwide. This study aims to identify the bioactive compounds from mangosteen (Garcinia mangostana L.) as an antiviral agent via dual inhibitor mechanisms against two SARS-CoV-2 proteases through the in silico approach. The three-dimensional structure of various bioactive compounds of mangosteen from the database was examined. Furthermore, all the target compounds were analyzed for drug, antiviral activity prediction, virtual screening, molecular interactions, and threedimensional structure visualization. It aimed to determine the potential of the bioactive compounds from mangosteen that can serve as antiviral agents to fight SARS-CoV-2. Results showed that the bioactive compounds from mangosteen have the prospective to provide antiviral agents that contradict the virus via dual inhibitory mechanisms. In summary, the binding of the various bioactive compounds from mangosteen results in low binding energy and is expected to have the ability to induce any activity of the target protein binding reaction. Therefore, it allows various bioactive compounds from mangosteen to act as dual inhibitory mechanisms for COVID-19 infection.

Key words: Antiviral agent, COVID-19, Garcinia mangostana L., In silico approach, SARS-CoV-2.

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The chemical compound from mangosteen: A) α-Mangostin

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Ansori AN, Kharisma VD, Parikesit AA, Dian FA, Probojati RT, Rebezov M, et al. Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARSCoV- 2: An In Silico Approach. Pharmacognosy Journal. 2022;14(1):85-90.

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Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARSCoV- 2: An In Silico Approach

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Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARSCoV- 2: An In Silico Approach

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Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARSCoV- 2: An In Silico Approach

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