<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Di Leva, Francesco Saverio</style></author><author><style face="normal" font="default" size="100%">Tomassi, Stefano</style></author><author><style face="normal" font="default" size="100%">Di Maro, Salvatore</style></author><author><style face="normal" font="default" size="100%">Reichart, Florian</style></author><author><style face="normal" font="default" size="100%">Notni, Johannes</style></author><author><style face="normal" font="default" size="100%">Dangi, Abha</style></author><author><style face="normal" font="default" size="100%">Marelli, Udaya Kiran</style></author><author><style face="normal" font="default" size="100%">Brancaccio, Diego</style></author><author><style face="normal" font="default" size="100%">Merlino, Francesco</style></author><author><style face="normal" font="default" size="100%">Wester, Hans-Juergen</style></author><author><style face="normal" font="default" size="100%">Novellino, Ettore</style></author><author><style face="normal" font="default" size="100%">Kessler, Horst</style></author><author><style face="normal" font="default" size="100%">Marinelli, Luciana</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">From a helix to a small cycle: metadynamics-inspired alpha v beta 6 integrin selective ligands</style></title><secondary-title><style face="normal" font="default" size="100%">Angewandte Chemie-International Edition</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">OCT</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">57</style></volume><pages><style face="normal" font="default" size="100%">14645-14649</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">The RGD-recognizing alpha v beta 6 integrin has only recently emerged as a major target for cancer diagnosis and therapy. Thus, the development of selective, low-molecular-weight ligands of this receptor is still in great demand. Here, a metadynamics-driven design strategy allowed us to successfully convert a helical nonapeptide into a cyclic pentapeptide (6) showing remarkable potency and alpha v beta 6 specificity. NMR and docking studies elucidated the reasons for the high affinity and selectivity of this compound, setting the ground for the rational design of new alpha v beta 6-specific small peptides or even peptidomimetics. In vivo PET imaging studies demonstrated the potential use of 6 for medical applications.</style></abstract><issue><style face="normal" font="default" size="100%">44</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">12.102</style></custom4></record></records></xml>