Quantum chemical studies on structure activity relationship of natural product polyacetylenes

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Zloh, Mire, Bucar, Franz and Gibbons, Simon (2007) Quantum chemical studies on structure activity relationship of natural product polyacetylenes. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 117 (2). pp. 247-252. ISSN 1432-881X

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Abstract

An extract of the roots of Levisticum officinale L. (Apiaceae) exhibited significant antimycobacterial activity against Mycobacterium fortuitum, where diacetylene compounds were identified as the active components in this extract. In contrast, polyacetylenes isolated from different sources surprisingly exhibited no anti-mycobacterial activity. Additionally, a whole series of furanocoumarin ethers of the polyacetylene falcarindiol exhibited anti-proliferative properties. We have studied the relationship between the electronic properties and biological activity of these structurally related compounds and a good qualitative correlation between predicted lipophilic parameters and activity has been established.

Item Type:	Article
Faculty \ School:	Faculty of Science > School of Pharmacy
Related URLs:	http://link.springer.com/10.1007/s00214-...
Depositing User:	LivePure Connector
Date Deposited:	27 Jun 2020 00:02
Last Modified:	04 Mar 2024 17:56
URI:	https://ueaeprints.uea.ac.uk/id/eprint/75789
DOI:	10.1007/s00214-006-0148-7

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