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Thursday, 10 February 2022 15:27

In silico: researchers discover SARS-Cov-2 target Featured

Using a computer-assisted analysis technique,  scientists from Barcelona have found several natural products that can inhibit an important enzyme of the virus, called protease Mpro. The enzyme plays an important role in the replication of the virus in the host.

Such a substance, which has been developed into a drug, could maybe stop the progression of the infection.

Original publication:
Rubio-Martínez J, Jiménez-Alesanco A, Ceballos-Laita L, Ortega-Alarcón D, Vega S, Calvo C, Benítez C, Abian O, Velázquez-Campoy A, Thomson TM, Granadino-Roldán JM, Gómez-Gutiérrez P, Pérez JJ. (2021). Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening. J Chem Inf Model. 2021 Dec 27;61(12):6094-6106. doi: 10.1021/acs.jcim.1c00951. Epub 2021 Nov 22. PMID: 34806382.

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