Hassan, H, Marsden, S orcid.org/0000-0002-2723-8954 and Nelson, AS orcid.org/0000-0003-3886-363X (2018) Design and synthesis of a fragment set based on twisted bicyclic lactams. Bioorganic and Medicinal Chemistry, 26 (11). pp. 3030-3033. ISSN 1464-3391
Abstract
Current fragment sets tend to be dominated by flatter molecules, and their shape diversity does not reflect that of the fragments that are theoretically possible. The design and synthesis of a set of bridged fragments containing a bridgehead nitrogen is described. Many of these fragments contain twisted lactams whose modulated electronic properties may present unusual opportunities for interaction with target proteins. The demonstrated novelty, three-dimensionality and molecular properties of the set of 22 fragments may provide valuable, and highly distinctive, starting points for fragment-based drug discovery.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | (c) 2018 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http:// creativecommons.org/licenses/by/4.0/). |
Keywords: | Fragments; Drug discovery; Twisted amides; Shape diversity |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Organic Chemistry (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 22 Feb 2018 10:27 |
Last Modified: | 25 Jun 2023 21:15 |
Status: | Published |
Publisher: | Elsevier |
Identification Number: | 10.1016/j.bmc.2018.02.027 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:127735 |