Bioactive Compounds from Purslane (Portulaca oleracea L.) and Star Anise (Illicium verum Hook) as SARS-CoV-2 Antiviral Agent via Dual Inhibitor Mechanism: In Silico Approach

نویسندگان

چکیده

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes the COVID-19 pandemic that infects humans and attacks body's immune system. The purpose of study was to identify potential bioactive compounds in purslane (Portulaca oleracea L.) star anise (Illicium verum Hook) via a dual inhibitor mechanism against SARS-CoV-2 proteases with an silico approach. samples were obtained from PubChem RSCB PDB. Antivirus probability prediction performed on PASS Online. Virtual screening PyRx molecular docking. Visualization used by PyMol Discovery Studio. Compounds best antiviral are indicated low binding affinity value target proteins, namely TMPRSS2 PLpro. results showed luteolin has potential. However, further studies required validate this computational prediction.

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ژورنال

عنوان ژورنال: Pharmacognosy Journal

سال: 2022

ISSN: ['0975-3575']

DOI: https://doi.org/10.5530/pj.2022.14.106