Computational analysis and partialsynthesis of resolvin analogues

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dc.availability.bitstreamembargoed
dc.check.date2032-09-30
dc.contributor.advisorO'Sullivan, Timen
dc.contributor.authorDaly, Kevin
dc.contributor.funderIrish Research Councilen
dc.date.accessioned2022-09-21T14:06:46Z
dc.date.available2022-09-21T14:06:46Z
dc.date.issued2022-06-02
dc.date.submitted2022-06-02
dc.description.abstractAn 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.en
dc.description.statusNot peer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationDaly, K. 2022. Computational analysis and partialsynthesis of resolvin analogues. MRes Thesis, University College Cork.en
dc.identifier.endpage138en
dc.identifier.urihttps://hdl.handle.net/10468/13627
dc.language.isoenen
dc.publisherUniversity College Corken
dc.rights© 2022, Kevin Daly.en
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/en
dc.subjectResolvinen
dc.subjectSyntheticen
dc.subjectComputationalen
dc.subjectPharmaceuticalen
dc.subjectInflammatoryen
dc.titleComputational analysis and partialsynthesis of resolvin analoguesen
dc.typeMasters thesis (Research)en
dc.type.qualificationlevelMastersen
dc.type.qualificationnameMRes - Master of Researchen
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