Friday, October 7, 2022

Assessing the potential exercise of salen in opposition to proteins of SARS-CoV-2

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According to scientists, salen—the substance on the photograph—is comparatively easy and cheap to synthesize. Credit: UrFU / Damir Safin

Researchers came upon that salen is ready to successfully bind a lot of proteins of the coronavirus SARS-CoV-2. Scientists used the tactic of molecular docking and found that salen reveals exercise to the non-structural protein nsp14, which prevents the destruction of the virus. The new discovering might be helpful for the creation of latest medicine and efficient therapies for coronavirus an infection. The outcomes of the examine are revealed in Polycyclic Aromatic Compounds.

“Our study focused on a well-known compound, salen. We tried to assess the potential activity of this compound against a series of proteins of SARS-CoV-2, which cause the COVID-19 disease. We found out that salen can potentially interact with the studied proteins, and the best results were obtained for the non-structural protein nsp14, which protects the virus from destruction,” says Damir Safin, Research Engineer on the Organic Synthesis Laboratory of Ural Federal University.

The time period “salen” refers to a tetradentate Schiff base, derived from salicylaldehyde and ethylenediamine. Salen itself in addition to its derivatives are vital ligands in lots of fields of sensible utility. This is an natural compound which is able to coordinating some metals, stabilizing them in several oxidation states. Metal advanced compounds of salen derivatives are additionally actively used as catalysts.

Part of salen comprises two “fluid” hydrogen atoms of hydroxyl teams. Each of those hydrogen atoms can transfer to nitrogen atoms, thereby forming completely different shapes of the molecule. Such a course of is known as tautomerization, and the members on this course of are tautomers or tautomeric varieties.

“We’ve explored the potential interaction of various tautomers salen with SARS-CoV-2 proteins to identify the most preferred tautomeric form of the studied molecule in terms of the effectiveness in interaction with proteins. Of course, our research is only the first step towards understanding how salen can be used in the fight against COVID-19, much remains to be explored. However, the results we obtained inspire a certain optimism,” provides Damir Safin.

Unraveling tautomeric mixtures

More info:
Maria G. Babashkina et al, Salen: Insight into the Crystal Structure, Hirshfeld Surface Analysis, Optical Properties, DFT, and Molecular Docking Studies, Polycyclic Aromatic Compounds (2022). DOI: 10.1080/10406638.2022.2097281

Provided by
Ural Federal University

Assessing the potential exercise of salen in opposition to proteins of SARS-CoV-2 (2022, September 22)
retrieved 22 September 2022

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