- Title
- Synthesis, stereochemistry and in vitro STD NMR and in silico HIV-1 PR enzyme-binding potential of MBH-derived inhibitors
- Creator
- Tukulula, Matshawandile
- Creator
- Olasupo, Idris A
- Creator
- Mugumbate, Grace C
- Creator
- Lobb, Kevin A
- Creator
- Klein, Rosalyn
- Creator
- Sayed, Yasien
- Creator
- Tshiwawa, Tendamudzimu
- Creator
- Kaye, Perry T
- Subject
- To be catalogued
- Date Issued
- 2022
- Date
- 2022
- Type
- text
- Type
- article
- Identifier
- http://hdl.handle.net/10962/452813
- Identifier
- vital:75172
- Identifier
- xlink:href="https://doi.org/10.1016/j.molstruc.2022.133716"
- Description
- 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. Saturation Transfer Difference (STD) 1H NMR spectroscopy and in silico molecular docking studies have been used to explore the HIV-1 protease sub-type C enzyme binding potential of these compounds in five different HIV-1 PR enzyme receptors.
- Format
- computer
- Format
- online resource
- Format
- application/pdf
- Format
- 1 online resource (8 pages)
- Format
- Publisher
- Elsevier
- Language
- English
- Relation
- Journal of Molecular Structure
- Relation
- Tukulula, M., Olasupo, I.A., Mugumbate, G.C., Lobb, K.A., Klein, R., Sayed, Y., Tshiwawa, T. and Kaye, P.T., 2022. Synthesis, stereochemistry and in vitro STD NMR and in silico HIV-1 PR enzyme-binding potential of MBH-derived inhibitors. Journal of Molecular Structure, 1268, p.133716
- Relation
- Journal of Molecular Structure volume 1268 p. 133716 2022 1872-8014
- Rights
- Publisher
- Rights
- Use of this resource is governed by the terms and conditions of the Elsevier Terms and Conditions Statement (https://www.elsevier.com/legal/elsevier-website-terms-and-conditions)
- Rights
- Closed Access
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