Computational studies reveal mechanism by which quinone derivatives can inhibit SARS-CoV-2. Study of embelin and two therapeutic compounds of interest, methyl prednisolone and dexamethasone | Zendy

Francesco Caruso | Zendy; Miriam Rossi | Zendy; Jens Z. Pedersen | Zendy; Sandra Incerpi | Zendy

Open Access

Computational studies reveal mechanism by which quinone derivatives can inhibit SARS-CoV-2. Study of embelin and two therapeutic compounds of interest, methyl prednisolone and dexamethasone

Author(s) -

Francesco Caruso,

Miriam Rossi,

Jens Z. Pedersen,

Sandra Incerpi

Publication year - 2020

Publication title -

journal of infection and public health

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.983

H-Index - 35

eISSN - 1876-035X

pISSN - 1876-0341

DOI - 10.1016/j.jiph.2020.09.015

Subject(s) - chemistry , moiety , cysteine protease , protease , prednisolone , docking (animal) , natural product , stereochemistry , pharmacology , biochemistry , enzyme , medicine , nursing , surgery

Quinones are reactive to proteins containing cysteine residues and the main protease in Covid-19 contains an active site that includes Cys145. Embelin, a quinone natural product, is known to have antiviral activity against influenza and hepatitis B. Preliminary studies by our group also indicate its ability to inhibit HSV-1 in cultured cells.

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