Computational fragment-based drug design to explore the hydrophobic sub-pocket of the mitotic kinesin Eg5 allosteric binding site

Autor: François Delfaud, Stewart A. Adcock, Fabrice Moriaud, Olivia Doppelt-Azeroual, Artem Vorotyntsev, Laetitia Martin-Chanas, Alexandre G. de Brevern, Xavier Brotel, Ksenia Oguievetskaia

Publikováno v: Journal of Computer-Aided Molecular Design
Journal of Computer-Aided Molecular Design, Springer Verlag, 2009, 23 (8), pp.571-82. ⟨10.1007/s10822-009-9286-z⟩
Journal of Cheminformatics
Journal of Cheminformatics, Vol 2, Iss Suppl 1, p P29 (2010)

International audience; Eg5, a mitotic kinesin exclusively involved in the formation and function of the mitotic spindle has attracted interest as an anticancer drug target. Eg5 is co-crystallized with several inhibitors bound to its allosteric bindi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80ebf68f4cb9e2acb406ae080341c0d0
https://pubmed.ncbi.nlm.nih.gov/19533373