about
Structure-Based Design of 3-(4-Aryl-1H-1,2,3-triazol-1-yl)-Biphenyl Derivatives as P2Y14 Receptor Antagonists.Targeting aquaporin function: potent inhibition of aquaglyceroporin-3 by a gold-based compoundThe Influence of the 1-(3-Trifluoromethyl-Benzyl)-1H-Pyrazole-4-yl Moiety on the Adenosine Receptors Affinity Profile of Pyrazolo[4,3-e][1,2,4]Triazolo[1,5-c]Pyrimidine DerivativesPurine (N)-Methanocarba Nucleoside Derivatives Lacking an Exocyclic Amine as Selective A3 Adenosine Receptor Agonists.DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations.Advances in Computational Techniques to Study GPCR-Ligand Recognition.Pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines and Structurally Simplified Analogs. Chemistry and SAR Profile as Adenosine Receptor Antagonists.Structural Probing and Molecular Modeling of the A₃ Adenosine Receptor: A Focus on Agonist Binding.New Trends in Inspecting GPCR-ligand Recognition Process: the Contribution of the Molecular Modeling Section (MMS) at the University of Padova.Rationalization of the inhibition activity of structurally related organometallic compounds against the drug target cathepsin B by DFT.Structural refinement of pyrazolo[4,3-d]pyrimidine derivatives to obtain highly potent and selective antagonists for the human A3 adenosine receptor.Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive allosteric modulator LUF6000.South (S)- and North (N)-Methanocarba-7-Deazaadenosine Analogues as Inhibitors of Human Adenosine Kinase.Revisiting a receptor-based pharmacophore hypothesis for human A(2A) adenosine receptor antagonists.7-Amino-2-phenylpyrazolo[4,3-d]pyrimidine derivatives: structural investigations at the 5-position to target human A₁ and A(2A) adenosine receptors. Molecular modeling and pharmacological studies.Aquaporin inhibition by gold(III) compounds: new insights.Demystifying P2Y1 Receptor Ligand Recognition through Docking and Molecular Dynamics Analyses.Structure-Based Scaffold Repurposing for G Protein-Coupled Receptors: Transformation of Adenosine Derivatives into 5HT2B/5HT2C Serotonin Receptor Antagonists.Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations.Perturbation of fluid dynamics properties of water molecules during G protein-coupled receptor-ligand recognition: the human A2A adenosine receptor as a key study.Alternative quality assessment strategy to compare performances of GPCR-ligand docking protocols: the human adenosine A(2A) receptor as a case study.Bridging molecular docking to membrane molecular dynamics to investigate GPCR-ligand recognition: the human A₂A adenosine receptor as a key study.In Silico 3D Modeling of Binding Activities.2-Arylpyrazolo[4,3-d]pyrimidin-7-amino derivatives as new potent and selective human A3 adenosine receptor antagonists. Molecular modeling studies and pharmacological evaluation.Exploring the directionality of 5-substitutions in a new series of 5-alkylaminopyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine as a strategy to design novel human a(3) adenosine receptor antagonists.Conjugates between minor groove binders and Zn(II)-tach complexes: Synthesis, characterization, and interaction with plasmid DNA5,7-Disubstituted-[1,2,4]triazolo[1,5- a ][1,3,5]triazines as pharmacological tools to explore the antagonist selectivity profiles toward adenosine receptorsExploring the recognition pathway at the human A2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulationsScaffold Decoration at Positions 5 and 8 of 1,2,4-Triazolo[1,5-c]Pyrimidines to Explore the Antagonist Profiling on Adenosine Receptors: A Preliminary Structure–Activity Relationship StudySynthesis and Spectroscopic Characterisation of a Heterodinuclear Iron(III)-Copper(II) Complex Based on an Asymmetric Dinucleating Ligand SystemInfluence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: a theoretical perspectiveActivation of carboplatin by carbonate: a theoretical investigationA QM/MM study of the binding of RAPTA ligands to cathepsin BStructure-Guided Modification of Heterocyclic Antagonists of the P2Y14 ReceptorStructure activity relationship of 2-arylalkynyl-adenine derivatives as human A3 adenosine receptor antagonistsA3 adenosine receptor activation mechanisms: molecular dynamics analysis of inactive, active, and fully active states
P50
Q27301332-61D350B8-2F8B-449D-B02D-B332EA86D662Q28483815-EC34E4DE-D041-41FB-9507-9584AA0672B9Q28551225-35B2C81A-BDD3-4977-8B63-E38330654711Q30793386-8647D8FF-EEF2-4ED0-AD4A-C69B4E976149Q35649682-DC1E49CC-8E59-4231-8E6F-108C22593715Q38625628-7A942C48-E28F-4758-9162-58774C7C7875Q38826846-3CBACD82-DE66-411B-BDA3-00EBDA70EE29Q38911603-42169CF0-4481-4ED7-B2DD-01D31D5D1AF4Q38933295-33F87BB9-629D-46AB-A2BE-4A98FDD91914Q39704089-46345510-39AA-40D2-942B-1B192F090A78Q40241382-E547D752-B94B-4C88-86C1-7D6EB44DD9D1Q41080064-CA0D6C03-32FF-49C6-A0CA-56D351B7C883Q41153115-D111505C-F0F8-4870-A928-E5DE312C1E57Q44616497-82DEE775-1883-48D8-941A-17648110A4AAQ45340004-8E3A12C1-A1FD-4B15-95DE-2F168B45502BQ45734517-90DC83CC-F201-423B-BF48-F578E53C7633Q46252915-2F39217D-639D-4E73-B33A-9FB462B48925Q48172109-F6E918F0-4B67-4A42-A48D-6D9EE710B2AEQ50525174-47540E70-2410-4A93-8C97-53166D837853Q51034650-936DCDF8-88DC-459F-BBCF-180C74EB9B65Q51065659-67530BB8-352C-4074-858E-71859BE1C70EQ51130971-A74EAE70-1A39-48BA-9C44-C184DAD42A98Q51699568-9FCBC54E-E5B9-4AC2-A471-BF89C987B6E1Q51754555-A7A4F141-66EE-4098-9A75-D8D267FDC77CQ51756244-93DD9279-10E6-4EAD-B15B-6F1651987701Q56979443-0AF52C46-8C68-4166-9093-CD728C00F9C9Q56979458-EB735719-A4B7-4B5D-A562-2F8E3F807722Q56979477-A1973964-8253-413C-8F31-26D21FB5E212Q56979507-3F3A6E25-D862-4B89-80EE-E520D16D3FC0Q59326576-648FF65D-9978-4E43-9E60-73F939B98021Q62112717-A760646C-8470-440E-A0AD-A88A5BCE67ECQ62112720-452AC989-C5C6-4469-9823-D7DDABB97053Q62112721-8EB1FC2A-A3B1-40AF-804A-E0275AD15C0CQ88692743-9F065E3F-39F6-40FD-B792-8A2EBC2F04C6Q90651168-A945C783-4472-416C-A738-22571533EE9FQ91406530-84FEA75F-74EB-4188-9784-38ED8D411474
P50
description
hulumtuese
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Antonella Ciancetta
@ast
Antonella Ciancetta
@en
Antonella Ciancetta
@es
Antonella Ciancetta
@nl
Antonella Ciancetta
@sl
type
label
Antonella Ciancetta
@ast
Antonella Ciancetta
@en
Antonella Ciancetta
@es
Antonella Ciancetta
@nl
Antonella Ciancetta
@sl
prefLabel
Antonella Ciancetta
@ast
Antonella Ciancetta
@en
Antonella Ciancetta
@es
Antonella Ciancetta
@nl
Antonella Ciancetta
@sl
P1053
L-9991-2017
P106
P1153
36100013100
P21
P2456
P31
P3829
P496
0000-0002-7612-2050