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Synthesis, stereochemistry and in vitro STD NMR and in silico HIV-1 PR enzyme-binding potential of MBH-derived inhibitors

Synthesis, stereochemistry and in vitro STD NMR and in silico HIV-1 PR enzyme-binding potential of MBH-derived inhibitors

Aza-Michael reactions of a pyridine-3-carbaldehyde-derived Morita-Baylis-Hillman (MBH) adduct with various amines have afforded a series of 10 diastereomeric products, stereochemical analysis of which has been achieved using a combination of NMR (1D, 2D and NOESY) and computer modelling methods. Sat...

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Bibliographic Details
Main Authors: Tukulula, Matshawandile, Olasupo, Idris A., Mugumbate, Grace C., Lobb, Kevin A., Klein, Rosalyn, Sayed, Yasien, Tshiwawa, Tendamudzimu, Kaye, Perry T.
Format: Article
Language:English
Published: Elsevier 2022
Subjects:
Morita-Baylis-Hillman
HIV-1 protease inhibitors
In silico docking
Stereochemistry
Online Access:https://doi.org/10.1016/j.molstruc.2022.133716
http://hdl.handle.net/11408/5143
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https://doi.org/10.1016/j.molstruc.2022.133716
http://hdl.handle.net/11408/5143