Acetic Acid Can Catalyze Succinimide Formation from Aspartic Acid Residues by a Concerted Bond Reorganization Mechanism: A Computational Study

Acetic Acid Can Catalyze Succinimide Formation from Aspartic Acid Residues by a Concerted Bond Reorganization Mechanism: A Computational Study

Succinimide formation from aspartic acid (Asp) residues is a concern in the formulation of protein drugs. Based on density functional theory calculations using Ace-Asp-Nme (Ace = acetyl, Nme = NHMe) as a model compound, we propose the possibility that acetic acid (AA), which is often used in protei...

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Bibliographic Details
Main Authors: Ohgi Takahashi, Ryota Kirikoshi, Noriyoshi Manabe
Format: Article
Language:English
Published: MDPI AG 2015-01-01
Series:International Journal of Molecular Sciences
Subjects:
aspartic acid residue
nonenzymatic reaction
succinimide
density functional theory
computational chemistry
acetic acid
buffer catalysis
double proton transfer
concerted bond reorganization
protein drugs
Online Access:http://www.mdpi.com/1422-0067/16/1/1613

Internet

http://www.mdpi.com/1422-0067/16/1/1613

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