Computational analysis and partialsynthesis of resolvin analogues

Loading...
Thumbnail Image
Files
Date
2022-06-02
Authors
Daly, Kevin
Journal Title
Journal ISSN
Volume Title
Publisher
University College Cork
Published Version
Research Projects
Organizational Units
Journal Issue
Abstract
An introduction to the role of resolvins in inflammation is outlined in Chapter 1. In addition, a literature survey of the structure-activity relationships of resolvins, protectins and maresins is also included. Chapter 2 briefly outlines the aims and objectives of this project. Chapter 3 focuses on the computational analysis of the outlined virtual library of Resolvin D2 analogues. The key physicochemical properties of each candidate are calculated and unsuitable candidates are eliminated using standard screening protocols. Chapter 4 describes the attempted synthesis of a key intermediate for the preparation of an aromatic resolvin analogue. This attempted synthesis encompasses a monosilylation of a diol, a selective oxidation of an alcohol to an aldehyde, a Wittig olefination and, finally, a comprehensive trial of acetal deprotection methods for a 1,2 dioxane acetal in the presence of a silyl ether. Chapter 5 summarises the overall findings of this project and outlines possible future avenues for exploration. The full computational data set and experimental procedures, including spectroscopic data, are detailed in Chapter 6.
Description
Keywords
Resolvin , Synthetic , Computational , Pharmaceutical , Inflammatory
Citation
Daly, K. 2022. Computational analysis and partialsynthesis of resolvin analogues. MRes Thesis, University College Cork.
Link to publisher’s version