Two “fluid” hydrogen atoms of hydroxyl groups are found in salen. Each of these hydrogen atoms has the capability to relocate to a nitrogen atom, therefore changing the shape of the molecule. This process is referred to as tautomerization, and the participants are tautomers or tautomeric types.
” Weve explored the possible interaction of numerous tautomers salen with SARS-CoV-2 proteins to determine the most favored tautomeric kind of the studied molecule in terms of the efficiency in interaction with proteins. Naturally, our research study is just the initial step towards comprehending how salen can be utilized in the fight against COVID-19, much stays to be checked out. The results we obtained motivate a particular optimism,” adds Damir Safin.
Reference: “Salen: Insight into the Crystal Structure, Hirshfeld Surface Analysis, Optical Properties, DFT, and Molecular Docking Studies” by Maria G. Babashkina, Elizaveta V. Panova, Larisa E. Alkhimova and Damir A. Safin, 22 July 2022, Polycyclic Aromatic Compounds.DOI: 10.1080/ 10406638.2022.2097281.
A research study was carried out by researchers from the Innovation Center of Chemical and Pharmaceutical Technologies of Ural Federal University, Kurgan State University, and Tyumen State University.
The new finding could pave the way for brand-new effective treatments for the coronavirus.
They found that the natural compound can bind to lots of SARS-CoV-2 proteins.
Scientists have actually discovered that salen can efficiently bind a variety of proteins of the coronavirus SARS-CoV-2. CoV-2s Scientists used molecular docking to reveal that salen binds to the non-structural protein nsp14, which avoids the virus from being destroyed. The discovery might assist in the advancement of novel drugs and coronavirus infection treatments. The research studys findings were just recently released in the journal Polycyclic Aromatic Compounds.
” Our study concentrated on a widely known substance, salen. We attempted to assess the possible activity of this compound against a series of proteins of the SARS-CoV-2, which cause the COVID-19 disease. We discovered out that salen can possibly connect with the studied proteins, and the very best outcomes were obtained for the non-structural protein nsp14, which protects the infection from destruction,” says Damir Safin, Research Engineer at the Organic Synthesis Laboratory of Ural Federal University.
According to scientists, salen– the substance in the image– is economical and relatively simple to manufacture. Credit: Ural Federal University/ Damir Safin
The term “salen” refers to a tetradentate Schiff base derived from salicylaldehyde and ethylenediamine. Salen and its derivatives are essential ligands in a broad variety of useful applications.
Researchers have found that salen can efficiently bind a number of proteins of the coronavirus SARS-CoV-2. CoV-2s Scientists utilized molecular docking to reveal that salen binds to the non-structural protein nsp14, which avoids the virus from being damaged. We discovered out that salen can possibly connect with the studied proteins, and the finest outcomes were gotten for the non-structural protein nsp14, which secures the infection from damage,” says Damir Safin, Research Engineer at the Organic Synthesis Laboratory of Ural Federal University.
” Weve explored the potential interaction of numerous tautomers salen with SARS-CoV-2 proteins to recognize the most favored tautomeric type of the studied molecule in terms of the effectiveness in interaction with proteins.