Fascaplysin as a specific inhibitor for CDK4: insights from molecular modelling.

dc.contributor.author	Shafiq, M.I.
dc.contributor.author	Steinbrecher, T,
dc.contributor.author	Schmid, R.
dc.date.accessioned	2013-04-30T04:50:47Z
dc.date.available	2013-04-30T04:50:47Z
dc.date.issued	2012
dc.identifier.citation	Shafiq, M. I., Steinbrecher, T., & Schmid, R. (2012). Fascaplysin as a specific inhibitor for CDK4: Insights from molecular modelling. PloS one, 7(8), e42612.
dc.identifier.other	doi: 10.1371/journal.pone.0042612
dc.identifier.uri	http://hdl.handle.net/123456789/948
dc.description.abstract	Cyclin-dependent kinases (CDKs) play a key role in the cell cycle and are important anti-cancer drug targets. The natural product fascaplysin inhibits CDK4 with surprising selectivity (IC(50) = 0.4 µM) compared to the close homolog CDK2 (IC(50) = 500 µM). Free energy calculations of the positively charged fascaplysin and an uncharged iso-electronic derivative in the CDK2 and CDK4 inhibitor complexes indicate that the positive charge of fascaplysin is crucial for selectivity. This finding will guide further improvements in the design of fascaplysin-based selective inhibitors for CDK4.	en_GB
dc.language.iso	en	en_GB
dc.publisher	PLoS One
dc.relation.ispartofseries	PLoS One.7(8):e42612.
dc.subject	Fascaplysin	en_GB
dc.subject	Inhibitor	en_GB
dc.subject	CDK4	en_GB
dc.title	Fascaplysin as a specific inhibitor for CDK4: insights from molecular modelling.	en_GB
dc.type	Article	en_GB