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Assessing the potential activity of salen against proteins of SARS-CoV-2

Scientists have found a potential basis for a cure for coronavirus
In accordance with scientists, salenthe substance at the photois not at all hard and cheap to synthesize. Credit: UrFU / Damir Safin

Researchers discovered that salen has the capacity to effectively bind several proteins of the coronavirus SARS-CoV-2. Scientists used the technique of molecular docking and found that salen shows activity to the non-structural protein nsp14, which prevents the destruction of the herpes virus. The brand new finding could possibly be ideal for the creation of new drugs and effective treatments for coronavirus infection. The outcomes of the analysis are published in Polycyclic Aromatic Compounds.

“Our study centered on a well-known compound, salen. We tried to measure the potential activity of the compound against a number of proteins of SARS-CoV-2, which cause the COVID-19 disease. We discovered that salen could connect to the studied proteins, and the very best results were obtained for the non-structural nsp14, which protects the herpes virus from destruction,” says Damir Safin, Research Engineer at the Organic Synthesis Laboratory of Ural Federal University.

The word “salen” identifies a tetradentate Schiff base, produced from salicylaldehyde and ethylenediamine. Salen itself along with its derivatives are essential ligands in lots of fields of request. This is a natural compound that is with the capacity of coordinating some metals, stabilizing them in various oxidation states. Metal complex compounds of salen derivatives may also be actively used as catalysts.

Section of salen contains two “fluid” of hydroxyl groups. Each one of these hydrogen atoms can proceed to , thereby forming different shapes of the molecule. This type of process is named tautomerization, and the participants in this technique are tautomers or tautomeric forms.

“We’ve explored the potential interaction of varied tautomers salen with SARS-CoV-2 proteins to recognize the most accepted tautomeric type of the studied molecule with regards to the effectiveness in interaction with proteins. Needless to say, our research is step one towards focusing on how salen may be used in the fight COVID-19, much remains to be explored. However, the outcomes we obtained inspire a particular optimism,” adds Damir Safin.

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

Citation: Assessing the potential activity of salen against proteins of SARS-CoV-2 (2022, September 22) retrieved 22 September 2022 from

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