BIreactive: Expanding the Scope of Reactivity Predictions to Propynamides

BIreactive: Expanding the Scope of Reactivity Predictions to Propynamides

We present the first comprehensive study on the prediction of reactivity for propynamides. Covalent inhibitors like propynamides often show improved potency, selectivity, and unique pharmacologic properties compared to their non-covalent counterparts. In order to achieve this, it is essential to tun...

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Bibliographic Details
Main Authors: Markus R. Hermann, Christofer S. Tautermann, Peter Sieger, Marc A. Grundl, Alexander Weber
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Pharmaceuticals
Subjects:
targeted covalent inhibitors
drug discovery
covalent warheads
reactivity assessment
glutathione
propynamide
Online Access:https://www.mdpi.com/1424-8247/16/1/116

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