2016
Design and synthesis of purine analogues as highly specific ligands for FcyB, a ubiquitous fungal nucleobase transporter
Lougiakis N, Gavriil E, Kairis M, Sioupouli G, Lambrinidis G, Benaki D, Krypotou E, Mikros E, Marakos P, Pouli N, Diallinas G. Design and synthesis of purine analogues as highly specific ligands for FcyB, a ubiquitous fungal nucleobase transporter. Bioorganic & Medicinal Chemistry 2016, 24: 5941-5952. PMID: 27720327, DOI: 10.1016/j.bmc.2016.09.055.Peer-Reviewed Original ResearchMeSH KeywordsAspergillus nidulansDose-Response Relationship, DrugDrug DesignLigandsMolecular Docking SimulationMolecular StructureNucleobase Transport ProteinsPurinesStructure-Activity Relationship
2015
Origin, diversification and substrate specificity in the family of NCS1/FUR transporters
Krypotou E, Evangelidis T, Bobonis J, Pittis A, Gabaldón T, Scazzocchio C, Mikros E, Diallinas G. Origin, diversification and substrate specificity in the family of NCS1/FUR transporters. Molecular Microbiology 2015, 96: 927-950. PMID: 25712422, DOI: 10.1111/mmi.12982.Peer-Reviewed Original ResearchMeSH KeywordsAmino Acid SequenceAspergillus nidulansBinding SitesFungal ProteinsGene DuplicationGene Transfer, HorizontalMembrane Transport ProteinsMolecular Docking SimulationMolecular Dynamics SimulationMutationPhylogenyProtein ConformationProtein Structure, TertiaryPseudogenesSequence Homology, Amino AcidSubstrate SpecificitySymportersConceptsSubstrate specificitySubstrate binding siteFunctional diversificationModel fungus Aspergillus nidulansSystematic mutational analysisBinding sitesStructure-function analysisUptake of purinesNCS1 proteinsPlant homologuesFur proteinAspergillus nidulansGene duplicationHorizontal transferSubstrate dockingMutation analysisSub-familyHomology modelingMolecular mechanismsNCS1ProteinResiduesFurDiversificationNidulans
2014
Modelling, substrate docking and mutational analysis identify residues essential for function and specificity of the major fungal purine transporter AzgA
Krypotou E, Lambrinidis G, Evangelidis T, Mikros E, Diallinas G. Modelling, substrate docking and mutational analysis identify residues essential for function and specificity of the major fungal purine transporter AzgA. Molecular Microbiology 2014, 93: 129-145. PMID: 24818808, DOI: 10.1111/mmi.12646.Peer-Reviewed Original ResearchConceptsSubstrate dockingMutation analysisNucleobase-ascorbate transporterAmino acid residuesNAT familyAspergillus nidulansInverted repeatsSubstrate bindingSubstrate translocationA-helicesPurine bindingC-tailAcid residuesTransporter familyCytoplasmic N-H(+) bindingAzgATMS8TMS10Founding memberFlexible domainsBinding cavityGate domainTMS3Residues
2012
Modeling, Substrate Docking, and Mutational Analysis Identify Residues Essential for the Function and Specificity of a Eukaryotic Purine-Cytosine NCS1 Transporter*
Krypotou E, Kosti V, Amillis S, Myrianthopoulos V, Mikros E, Diallinas G. Modeling, Substrate Docking, and Mutational Analysis Identify Residues Essential for the Function and Specificity of a Eukaryotic Purine-Cytosine NCS1 Transporter*. Journal Of Biological Chemistry 2012, 287: 36792-36803. PMID: 22969088, PMCID: PMC3481282, DOI: 10.1074/jbc.m112.400382.Peer-Reviewed Original ResearchMeSH KeywordsAdenineAmino Acid MotifsAmino Acid SubstitutionAspergillus nidulansConserved SequenceCytosineFungal ProteinsGuanineHydrogen BondingHypoxanthineKineticsMolecular Docking SimulationMolecular Dynamics SimulationMutagenesis, Site-DirectedPhenotypeProtein BindingProtein Structure, TertiarySequence Homology, Amino AcidStructural Homology, ProteinSubstrate SpecificitySymportersConceptsAsn-350Substrate binding siteAsn-163Substrate bindingSubstrate dockingSer-85Trp-259Substrate binding residuesPrimary sequence alignmentBinding sitesSubstrate binding affinitySystematic functional analysisTransmembrane a-helicesEukaryotic membersSequence alignmentBacterial membersA-helicesCritical residuesC-tailMicrobacterium liquefaciensRelevant mutantsCytoplasmic N-Binding residuesTMS1TMS6