Doing the methylene shuffle–Further insights into the inhibition of mitotic kinesin Eg5 with S-trityl l-cysteine

MN Abualhasan, JAD Good, K Wittayanarakul…

Index: Abualhasan, Murad N.; Good, James A.D.; Wittayanarakul, Kitiyaporn; Anthony, Nahoum G.; Berretta, Giacomo; Rath, Oliver; Kozielski, Frank; Sutcliffe, Oliver B.; MacKay, Simon P. European Journal of Medicinal Chemistry, 2012 , vol. 54, p. 483 - 498

Full Text: HTML

Citation Number: 15

Abstract

S-Trityl l-cysteine (STLC) is an inhibitor of the mitotic kinesin Eg5 with potential as an antimitotic chemotherapeutic agent. We previously reported the crystal structure of the ligand– protein complex, and now for the first time, have quantified the interactions using a molecular dynamics based approach. Based on these data, we have explored the SAR of the trityl head group using the methylene shuffle strategy to expand the occupation of one ...