Comparative study of stability and transport of molecules through cyclic peptide nanotube and aquaporin: a molecular dynamics simulation approach was written by Maroli, Nikhil;Kolandaivel, Ponmalai. And the article was included in Journal of Biomolecular Structure and Dynamics in 2020.Reference of 26662-94-2 The following contents are mentioned in the article:
The structural stability and transport properties of the cyclic peptide nanotube (CPN) 8 × [Cys-Gly-Met-Gly]2 in different phospholipid bilayers such as POPA (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidic acid), POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine), POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine), POPG (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol) and POPS (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoserine) with water have been investigated using mol. dynamics (MD) simulation. One MD simulation in POPA lipid membrane reveals the stability of the cyclic peptide nanotube, and the simulations at various temperatures manifest the higher stability of 8 [Cys-Gly-Met-Gly]2. The water permeation coefficient of the CPN is calculated and compared with human aquaporin-2 (AQP2) channel protein. It is found that the coefficients are highly comparable to the AQP2 channel though the mechanism of water transport is not similar to AQP 2; the flow of water in the CPN is taking place as a two-line 1-2-1-2 file fashion. In addition to that, the transport behavior of Na+ and K+ ions, single water mol., urea and anti-cancer drug fluorouracil were investigated using pulling simulation and potential of mean force calculation Also, the interactions of the ions and mols. in Cα and mid-Cα plane were studied to understand the transport behavior of the CPN. This study involved multiple reactions and reactants, such as (2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate (cas: 26662-94-2Reference of 26662-94-2).
(2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate (cas: 26662-94-2) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Reference of 26662-94-2
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics