Conformational studies and solution structure of laulimalide and simplified analogues using NMR spectroscopy and molecular modelling |
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Institution: | University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, UK |
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Abstract: | The solution structures of the potent microtubule-stabilizing anti-cancer agent laulimalide and simplified analogues were determined by a combination of high field 1H NMR spectroscopic studies (J-based configuration analysis and NOESY) and constrained molecular dynamics simulations and discussed in relation to their antiproliferative activity. |
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Keywords: | Laulimalide Solution structure Conformational analysis Analogues Anti-cancer agent Modelling |
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