Environmental and dynamic effects explain how nisin captures membrane-bound lipid II was written by Panina, Irina;Krylov, Nikolay;Nolde, Dmitry;Efremov, Roman;Chugunov, Anton. And the article was included in Scientific Reports in 2020.Safety of (2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate The following contents are mentioned in the article:
Nisin targets membrane-embedded cell wall precursor – lipid II – via capturing its pyrophosphate group (PPi), which is unlikely to evolve, and thus represents a promising pharmaceutical target. Understanding of exact mol. mechanism of initial stages of membrane-bound lipid II recognition by water-soluble nisin is indispensable. Here, using mol. simulations, we demonstrate that the structure of lipid II is determined to a large extent by the surrounding water-lipid milieu. In contrast to the bulk solvent, in the bilayer only two conformational states remain capable of nisin binding. In these states PPi manifests a unique arrangement of hydrogen bond acceptors on the bilayer surface. Such a “pyrophosphate pharmacophore” cannot be formed by phospholipids, which explains high selectivity of nisin/lipid II recognition. Similarly, the “recognition module” of nisin, being rather flexible in water, adopts the only stable conformation in the presence of PPi analog (which mimics the lipid II mol.). We establish the “energy of the pyrophosphate pharmacophore” approach, which effectively distinguishes nisin conformations that can form a complex with PPi. Finally, we propose a mol. model of nisin recognition module/lipid II complex in the bacterial membrane. These results will be employed for further study of lipid II targeting by antimicrobial (poly)cyclic peptides and for design of novel AB prototypes. This study involved multiple reactions and reactants, such as (2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate (cas: 26662-94-2Safety of (2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate).
(2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate (cas: 26662-94-2) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Safety of (2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate
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Ester – an overview | ScienceDirect Topics