@article {6226, title = {Design and synthesis of purine analogues as highly specific ligands for FcyB, a ubiquitous fungal nucleobase transporter.}, journal = {Bioorg Med Chem}, year = {2016}, month = {2016 Sep 22}, abstract = {In the course of our study on fungal purine transporters, a number of new 3-deazapurine analogues have been rationally designed, based on the interaction of purine substrates with the Aspergillus nidulans FcyB carrier, and synthesized following an effective synthetic procedure. Certain derivatives have been found to specifically inhibit FcyB-mediated [(3)H]-adenine uptake. Molecular simulations have been performed, suggesting that all active compounds interact with FcyB through the formation of hydrogen bonds with Asn163, while the insertion of hydrophobic fragments at position 9 and N6 of 3-deazaadenine enhanced the inhibition.}, issn = {1464-3391}, doi = {10.1016/j.bmc.2016.09.055}, author = {Lougiakis, Nikolaos and Gavriil, Efthymios-Spyridon and Kairis, Markelos and Sioupouli, Georgia and Lambrinidis, George and Benaki, Dimitra and Krypotou, Emilia and Mikros, Emmanuel and Marakos, Panagiotis and Pouli, Nicole and Diallinas, George} }