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?:abstract
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Among the herbal medicine that commonly used in relieving diseases we choose 4 species as the source for active constituents to be examined as its potential as anti SARS-CoV-2, namely Matrine, Cytarabine, Gemcitabine and Vidarabine from which are extracted from Gillan ‘s plants such as Trshvash, Chuchaq, Cote D’Couto and Khlvash in Iran. The mechanisms by which these agents exercise their antivirus action are calculated via analyzing of NMR and physical chemistry properties via docking. The drugs which are discussed in this article, some of them are in pre-clinical trials or clinical development and some are available in market such as Matrine, Cytarabine, Gemcitabine and Vidarabine. In this work, we have optimized and discussed about several active compounds which are extracted from famous plants through NMR study. These data in high-accuracy determine for anti-SARS-CoV-NSPs confirm our molecular modelling and also exhibited that Cytarabine, a compound found in Chuchaq, and Matrine from Trshvash, bind to those receptors with lower energies compared to the respected reference compounds. These finding indicated that both compounds possess better binding interaction and may inhibit the initial virus infection to the host cell.
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