Prediction of Anti-Sar-Cov-2 activity from Chrysanthemum Cinerariifolium (Trev.) compounds

Mutiah, Roihatul and Indrawijaya, Yen Yen Ari and Puspita, Dwi and Kumala, Ridlo Rimba and Yueniwati, Yuyun (2021) Prediction of Anti-Sar-Cov-2 activity from Chrysanthemum Cinerariifolium (Trev.) compounds. Solid State Technology, 64 (2). pp. 4840-4849. ISSN 0038-111X

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Abstract

Coronavirus or COVID-19 is a pandemic affecting millions of people around the world. Therefore the aim of this study is to predict the potential compounds resulting from metabolite profilling UPLC QToF MS/MS ethanol extract 96% of Chrysanthemum cinerariifolium (Trev.) leaves as anti-SARS-CoV-2. The method used is molecular docking from the Molegro Virtual docker version 6.0. The selected protein targets were the SARS-CoV-2 protease and receptor (PDB: 6LU7), PD-ACE2 (PDB: 6VW1), and the Spike glycoprotein (PDB: 6LXT). Furthermore the comparative drugs used in this study were ramdesivir and chloroquine. The results showed that four compounds exhibted higher antiviral activity than the native ligands remdesivir and chloroquine. Furthermore, antiviral activity was shown by the similarity of amino acid bonds with native ligands and comparative drugs. It was predicted that the compounds in C. cinerariifolium leaves have the potential to inhibit SAR-CoV-2 development.

Item Type: Journal Article
Keywords: COVID-19, In silico, C.cinerariifolium, SARS-CoV-2 protease, PD-ACE2, and Spike glycoprotein
Subjects: 11 MEDICAL AND HEALTH SCIENCES > 1112 Oncology and Carcinogenesis > 111205 Chemotherapy
11 MEDICAL AND HEALTH SCIENCES > 1112 Oncology and Carcinogenesis > 111207 Molecular Targets
Divisions: Faculty of Medical and Health Sciences > Department of Pharmacy
Depositing User: Dr. M.Kes. Roihatul Muti'ah
Date Deposited: 29 Jun 2021 11:31

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