Functionalization and molecular dynamics study of carboxy‐terminated poly(1‐vinylpyrrolidin‐2‐one): A potential soluble carrier of biomolecules

Abstract

The reactivity of carboxy‐terminated poly(1‐vinylpyrrolidin‐2‐one) (PVP‐COOH) 40‐mers 1 with various small bi‐functionalized molecules has been investigated. A number of new differently functionalized PVP 3–11 have been successfully obtained demonstrating that the presence of the bulky PVP chain did not hamper the reactivity of the carboxy group. This would imply that in solution the carboxyl group is not buried inside the coil, but well exposed to the solvent, as further confirmed by a molecular dynamics conformational study. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 1683–1698, 2008

One-step synthesis of poly(lactic-co-glycolic acid)-g-poly-1-vinylpyrrolidin-2-one copolymers

“…Similarly to the preparation of end‐hydroxylated PVP oligomers previously mentioned, PVP oligomers bearing at one terminus ester residues were prepared by radical polymerization of NVP in the presence of aliphatic esters acting in the meantime as solvents and chain transfer agents. The chain transfer involved one hydrogen atom α to the ester function . Compared with ATRP or RAFT, this synthetic method gave end‐functionalized oligomers with broader molecular weight distribution, but had the merit of being very simple and easily scaled‐up.…”

Synthesis of randomly aminated polyvinylpyrrolidone and its use in the preparation of hydrolyzable conjugates

“…Other authors have tried to modify the ring lactams of the polymer chains under harsh reaction conditions, which lead to non-controlled modication reactions. [10][11][12][13] Endchain functionalization and conjugationsimilar to PEGmay be achieved using special polymerization 14,15 techniques by using functional transfer agents or controlled polymerization approaches. Pseudo-side-chain type functionalizationsimilar to PHPMAmay be obtained by copolymerization of VP with a functional vinyl comonomer, [16][17][18] although this procedure leads to 'false' PVP functionalization.…”

Molecular dynamic simulation of mGluR5 amino terminal domain: essential dynamics analysis captures the agonist or antagonist behaviour of ligands

“…Molecular dynamics (MDs) are an important tool to study the functional dynamics of proteins and macromolecular complexes. [13][14][15][16] Some MD studies have already been carried out on the Venus' flytrap architecture, [17][18][19] but a classical MD simulation may underestimate the entire displacement for proteins that require a relaxation time of the order of milliseconds or longer. Indeed, one of the major limitations of MDs is the length of achievable simulation times, typically of the order of tens to hundreds nanoseconds.…”