Journal of molecular modeling
Computational mechanistic study on N-nitrosation reaction of secondary amines.
Meire Y Kawamura, David J Ponting, Chris G Barber, Michael J Burns
Published: 202510.1007/s00894-025-06520-7
Abstract
CONTEXT: The presence of potentially carcinogenic nitrosamines in drugs has been a worldwide concern, driving strategies to control or mitigate their formation to protect patient health. Understanding the critical factors for N-nitrosation, such as m…
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