Identification of influenza PA-Nter endonuclease inhibitors using pharmacophore- and docking-based virtual screening was written by Ferro, Stefania;Gitto, Rosaria;Buemi, Maria Rosa;Karamanou, Spyridoula;Stevaert, Annelies;Naesens, Lieve;De Luca, Laura. And the article was included in Bioorganic & Medicinal Chemistry in 2018.Application of 34206-49-0 This article mentions the following:
Searching for new antiviral agents, we focused our interest on the influenza PA-Nter endonuclease. Therefore, we developed a three-dimensional pharmacophore model which contains the binding features addressed to the metal-chelating active site. The obtained hypothesis has been fruitfully employed to select three “hit compounds” through an in silico screening campaign on our inhouse database of small mols. We studied the binding poses of these hit compounds using mol. docking, and subjected them to an enzymic assay with recombinant PA-Nter endonuclease. Compound I proved the most active inhibitor of the endonucleolytic cleavage reaction, with an IC50 value of 12 μM. In the experiment, the researchers used many compounds, for example, 5-Bromopyridine-2,3-diol (cas: 34206-49-0Application of 34206-49-0).
5-Bromopyridine-2,3-diol (cas: 34206-49-0) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Application of 34206-49-0