137351-54-3Relevant articles and documents
Design, Biological Evaluation, and Molecular Modeling of Tetrahydroisoquinoline Derivatives: Discovery of A Potent P-Glycoprotein Ligand Overcoming Multidrug Resistance in Cancer Stem Cells
Riganti, Chiara,Contino, Marialessandra,Guglielmo, Stefano,Perrone, Maria G.,Salaroglio, Iris C.,Milosevic, Vladan,Giampietro, Roberta,Leonetti, Francesco,Rolando, Barbara,Lazzarato, Loretta,Colabufo, Nicola A.,Fruttero, Roberta
supporting information, p. 974 - 986 (2019/01/21)
P-Glycoprotein is a well-known membrane transporter responsible for the efflux of an ample spectrum of anticancer drugs. Its relevance in the management of cancer chemotherapy is increased in view of its high expression in cancer stem cells, a population of cancer cells with strong tumor-promoting ability. In the present study, a series of compounds were synthesized through structure modulation of [4′-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl)biphenyl-4-ol] (MC70), modifying the phenolic group of the lead compound. Among them, compound 5b emerged for its activity against the transporter (EC50 = 15 nM) and was capable of restoring doxorubicin antiproliferative activity at nontoxic concentration. Its behavior was rationalized through a molecular modeling study consisting of a well-tempered metadynamics simulation, which allowed one to identify the most favorable binding pose, and of a subsequent molecular dynamics run, which indicated a peculiar effect of the compound on the motion pattern of the transporter.
KINETICS OF REACTIONS OF para-SUBSTITUTED PHENYL ISOCYANATES WITH AMINES AND ALCOHOLS
Danihel, Ivan,Barnikol, Falk,Kristian, Pavol
, p. 1662 - 1670 (2007/10/02)
The reaction of para-substituted phenyl isocyanates with amines and alcohols was studied by stopped-flow method.The Hammett correlation obtained showed that the sensitivity of the above mentioned reactions toward substituent effects is the same as that of
