<?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%">Weinmueller, Michael</style></author><author><style face="normal" font="default" size="100%">Rechenmacher, Florian</style></author><author><style face="normal" font="default" size="100%">Marelli, Udaya Kiran</style></author><author><style face="normal" font="default" size="100%">Reichart, Florian</style></author><author><style face="normal" font="default" size="100%">Kapp, Tobias G.</style></author><author><style face="normal" font="default" size="100%">Raeder, Andreas F. B.</style></author><author><style face="normal" font="default" size="100%">Di Leva, Francesco Saverio</style></author><author><style face="normal" font="default" size="100%">Marinelli, Luciana</style></author><author><style face="normal" font="default" size="100%">Novellino, Ettore</style></author><author><style face="normal" font="default" size="100%">Munoz-Felix, Jose M.</style></author><author><style face="normal" font="default" size="100%">Hodivala-Dilke, Kairbaan</style></author><author><style face="normal" font="default" size="100%">Schumacher, Adi</style></author><author><style face="normal" font="default" size="100%">Fanous, Joseph</style></author><author><style face="normal" font="default" size="100%">Gilon, Chaim</style></author><author><style face="normal" font="default" size="100%">Hoffman, Amnon</style></author><author><style face="normal" font="default" size="100%">Kessler, Horst</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Overcoming the lack of oral availability of cyclic hexapeptides: design of a selective and orally available ligand for the integrin alpha v beta 3</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%">2017</style></year><pub-dates><date><style  face="normal" font="default" size="100%">DEC</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">56</style></volume><pages><style face="normal" font="default" size="100%">16405-16409</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">Ahighly systematic approach for the development of both orally bioavailable and bioactive cyclic N-methylated hexapeptides as high affinity ligands for the integrin alpha v beta 3 is based on two concepts: a) screening of systematically designed libraries with spatial diversity and b) masking of the peptide charge with a lipophilic protecting group. The key steps of the method are 1) initial design of a combinatorial library of Nmethylated analogues of the stem peptide cyclo(d-Ala-Ala(5)); 2) selection of cyclic peptides with the highest intestinal permeability; 3) design of sublibraries with the bioactive RGD sequence in all possible positions; 4) selection of the best ligands for RGD-recognizing integrin subtypes; 5) finetuning of the affinity and selectivity by additional Ala to Xaa substitutions; 6) protection of the charged functional groups according to the prodrug concept to regain intestinal and oral permeability; 7) proof of biological effects in mice after oral administration.</style></abstract><issue><style face="normal" font="default" size="100%">51</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%">11.994</style></custom4></record><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><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%">Kapp, Tobias G.</style></author><author><style face="normal" font="default" size="100%">Di Leva, Francesco Saverio</style></author><author><style face="normal" font="default" size="100%">Notni, Johannes</style></author><author><style face="normal" font="default" size="100%">Raeder, Andreas F. B.</style></author><author><style face="normal" font="default" size="100%">Fottner, Maximilian</style></author><author><style face="normal" font="default" size="100%">Reichart, Florian</style></author><author><style face="normal" font="default" size="100%">Reich, Dominik</style></author><author><style face="normal" font="default" size="100%">Wurzer, Alexander</style></author><author><style face="normal" font="default" size="100%">Steiger, Katja</style></author><author><style face="normal" font="default" size="100%">Novellino, Ettore</style></author><author><style face="normal" font="default" size="100%">Marelli, Udaya Kiran</style></author><author><style face="normal" font="default" size="100%">Wester, Hans-Juergen</style></author><author><style face="normal" font="default" size="100%">Marinelli, Luciana</style></author><author><style face="normal" font="default" size="100%">Kessler, Horst</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">N-Methylation of isoDGR peptides: discovery of a selective alpha 5 beta 1-integrin ligand as a potent tumor imaging agent</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Medicinal Chemistry</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%">MAR</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">61</style></volume><pages><style face="normal" font="default" size="100%">2490-2499</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Specific targeting of the integrin subtype alpha 5 beta 1 possesses high potential in cancer diagnosis and therapy. Through sequential N-methylation, we successfully converted the biselective alpha 5 beta 1/alpha v beta 6 peptide c(phg-isoDGR-k) into a potent peptidic RGD binding aSfil subtype selective ligand c(phg-isoDGR-(NMe)k). Nuclear magnetic resonance spectroscopy and molecular modeling clarified the molecular basis of its improved selectivity profile. To demonstrate its potential in vivo, c(phg-isoDGR-(NMe)k) was trimerized with the chelator TRAP and used as a positron-emission tomography tracer for monitoring alpha 5 beta 1 integrin expression in a M21 mouse xenograft.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">6</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%">6.259</style></custom4></record></records></xml>