Majalah Obat Tradisional
Vol 27, No 1 (2022)

Prediction of Anti-SARS CoV-2 Activity from Green Tea Catechin (Camellia sinensis L. Kuntze) Compound Against To Receptors Non-structural Protein 3 (6W6Y) And Non-structural Protein 5 (6M2N)

Roihatul Mutiah (Department of Pharmacy, Faculty of Medical and Health Science, Islamic State University Maulana Malik Ibrahim Malang, East Java)
Chamlah Ayatillah (Undergraduate Program of Pharmacy, Faculty of Medical and Health Science, Islamic State University Maulana Malik Ibrahim Malang, East Java)
Yen yen Ari Indrawijaya (Department of Pharmacy, Faculty of Medical and Health Science, Islamic State University Maulana Malik Ibrahim Malang, East Java)
Arief Suryadinata (Department of Pharmacy, Faculty of Medical and Health Science, Islamic State University Maulana Malik Ibrahim Malang, East Java)



Article Info

Publish Date
26 Apr 2022

Abstract

Green tea catechin compounds (Camellia sinensis L. Kuntze) have an antiviral activity such as influenza, hepatitis B, hepatitis C, herpes simplex virus, HIV, and proven in vitro antiviral influenza against NSP5 in SARS CoV. These considerations are used in this study using Non-structural Protein (NSP), namely NSP3 and NSP5 in SARS CoV-2, which have a role in viral replication and transcription. This study aims to predict the physicochemical properties according to the five rules of Lipinski's using swissADME. Prediction of toxicity with LD50 classification using the Protox II online tool. Catechin compound activity based on ligand interaction with NSP3 (PDB ID: 6W6Y) and NSP5 (PDB ID: 6M2N) receptors using Molegro Virtual Docker (MVD) 6.0. The results showed the predictions of physicochemical properties of the (-)-epigallocatechin (EGC), (-)-epicatechin-3-gallate (ECG), and (-)-epicatechin (EC) compounds fulfilled the five rules of Lipinski's. Catechin compounds have toxicity at levels 4 and 6. The activity of catechin compounds on NSP3 (PDB ID: 6W6Y) and NSP5 (PDB ID: 6M2N) receptors indicated that all catechin compounds had inhibitory activity. The best potential activity compound is (-)-epigallocatechin-3-gallate (EGCG) with a rerank score of -102.8200 and -134.1800 Kcal/mol so that EGCG can be recommended as a candidate for the SARS CoV-2 antiviral compound.

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Journal Info

Abbrev

TradMedJ

Publisher

Subject

Health Professions Medicine & Pharmacology Public Health

Description

raditional Medicine Journal (Majalah Obat Tradisional), or Trad. Med. J. (ISSN 1410-5918 (print) and ISSN 2406-9086 (online)), is an international scientific journal published by Faculty of Pharmacy, Universitas Gadjah Mada, three times annually. Collaborating with Indonesian Pharmacist Association, ...