Ural Federal University: Scientists Find Potential Basis for Coronavirus Cure
Russian team of scientists used the method of molecular docking to find out that the organic compound salen can effectively bind a number of proteins of the coronavirus SARS-CoV-2. At the same time, salen shows the greatest activity in relation to the nonstructural protein nsp14, which prevents the destruction of the virus. Scientists believe that the data obtained can be useful for the development of new medications and new effective treatments for coronavirus infection. The results of the study are published in the journal Polycyclic Aromatic Compounds.
“The focus of our study was a widely known compound, salen. We tried to assess from a “predictive” point of view the potential activity of this compound against a series of proteins of the SARS-CoV-2 virus, which is the cause of Covid-19 disease. We were able to find out that salen can potentially interact with the proteins studied, with the best results being obtained for the non-structural protein nsp14, which stands for the protection of the virus from destruction,” says Damir Safin, a Research Engineer at the UrFU Department of Technology of Organic Synthesis.
Salen, an organic compound derived from salicylic aldehyde and ethylenediamine, is one of the best known representatives of Schiff bases. Salen-type compounds are known for their ability to coordinate different metals, stabilizing them in different oxidation states, which is of particular interest for practical applications. Metal complex compounds of salenic derivatives are also actively used as catalysts.
Salen contains two “movable” hydrogen atoms of hydroxyl groups in its composition. Each of these hydrogen atoms can move to nitrogen atoms, thereby forming different forms of the molecule. This process is called tautomerization, and the participants in this process are tautomers or tautomeric forms.
“We were interested to study the potential interaction of different tautomers of salen with SARS-CoV-2 proteins in order to identify the most preferable tautomeric form of the studied molecule in terms of efficiency of interaction with proteins. Of course, our research is only a first step towards understanding how salen can be used in the fight against Covid-19, much remains to be studied. However, our results are definitely optimistic,” adds Damir Safin.