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Lipophilicity behaviour of the Zwitterionic antihistamine cetirizine in phosphatidylcholine liposomes/water systems.An application of two MIFs-based tools (Volsurf+ and Pentacle) to binary QSAR: the case of a palinurin-related data set of non-ATP competitive glycogen synthase kinase 3β (GSK-3β) inhibitors.Characterization of the channel constriction allowing the access of the substrate to the active site of yeast oxidosqualene cyclaseOpenCDLig: a free web application for sharing resources about cyclodextrin/ligand complexes.Why we need to implement intramolecular hydrogen-bonding considerations in drug discovery.Molecular descriptors for polarity: the need of going beyond polar surface area.Relationship between Passive Permeability and Molecular Polarity Using Block Relevance Analysis.Updating molecular properties during early drug discovery.Synthesis, characterization, structure, molecular modeling studies and biological activity of sterically crowded Pt(II) complexes containing bis(imidazole) ligands.Do surface-based match solution-based techniques? The case of drug-liposome interaction.The relevance of polar surface area (PSA) in rationalizing biological properties of several cis-diamminemalonatoplatinum(II) derivatives.Multivariate analysis applied to Raman mapping of dye-functionalized carbon nanotubes: a novel approach to support the rational design of functional nanostructures.Profile of the intermolecular forces governing the interaction of drugs with mucin.Ionization, lipophilicity, and molecular modeling to investigate permeability and other biological properties of amlodipine.Efficient microwave-assisted synthetic protocols and in silico behaviour prediction of per-substituted β-cyclodextrins.The Block Relevance (BR) analysis supports the dominating effect of solutes hydrogen bond acidity on ΔlogP(oct-tol).How to extend the use of grid-based interaction energy maps from chemistry to biotopics.Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).Molecular interaction fields vs. quantum-mechanical-based descriptors in the modelling of lipophilicity of platinum(IV) complexes.GRIND-based 3D-QSAR to predict inhibitory activity for similar enzymes, OSC and SHC.A combined in silico strategy to describe the variation of some 3D molecular properties of beta-cyclodextrin due to the formation of inclusion complexes.Learning how to use IAM chromatography for predicting permeability.New 1,4-dihydropyridines conjugated to furoxanyl moieties, endowed with both nitric oxide-like and calcium channel antagonist vasodilator activities.Lipophilicity of amyloid β-peptide 12-28 and 25-35 to unravel their ability to promote hydrophobic and electrostatic interactions.Prediction and interpretation of the lipophilicity of small peptides.Development of molecular hydrogen-bonding potentials (MHBPs) and their application to structure-permeation relations.Molecular and statistical modeling of reduction peak potential and lipophilicity of platinum(IV) complexes.A Fast Chromatographic Method for Estimating Lipophilicity and Ionization in Nonpolar Membrane-Like EnvironmentConformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations?Host–guest inclusion systems of Pt(IV)-bis(benzoato) anticancer drug candidates and cyclodextrinsIonic Partition Diagram of the Zwitterionic Antihistamine CetirizineMolecular-Dynamics and NMR Investigation of the Property Space of the Zwitterionic Antihistamine CetirizineThermolysis of 4-(2-azido-3-nitrophenyl)-1,4-dihydropyridines as source of β-carboline derivatives and some related compoundsStructural investigation of Ca 2+ antagonists benzofurazanyl and benzofuroxanyl-1,4-dihydropyridinesStructure-Property Relationships in the Basicity and Lipophilicity of Arylalkylamine OxidesBenzofurazanyl- and benzofuroxanyl-1,4-dihydropyridines: synthesis, structure and calcium entry blocker activityOn the complexation of Trolox with methyl-β-cyclodextrin: characterization, molecular modelling and photostabilizing propertiesLigand-based design, in silico ADME-Tox filtering, synthesis and biological evaluation to discover new soluble 1,4-DHP-based CFTR activatorsGRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: The case of hERG K+ channel blockersImpact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5
P50
Q30656849-C636B31D-7BC5-4EB3-BB25-6FC8ED5F902BQ33808066-8448823A-347B-4CAC-B9FA-7E9E34599D7DQ33979702-63F6A7F2-A0C0-4896-8021-91AB69D7A281Q37522061-3CB997E0-F2BD-4A01-AD1E-052D9028CBEEQ38783642-F61FE023-780F-447A-8BD6-D8BBC1FF8427Q38811809-69491ECF-6AC0-483E-8400-79B2D3F95631Q39051188-F8DEBFC8-FC09-4D9B-92D7-FFFD974BF5B4Q39150639-589F191A-AE88-4D64-B481-E0F764916913Q39573364-CE2EB72E-AA86-459A-AAB4-84151326CE08Q39765446-1CFB081B-5F11-4670-8A1E-B9FA08C19620Q39819988-3D2F9601-6C15-4C98-9039-2B259D8DD0C0Q40744818-EF1315F3-328F-4A49-AFD0-3A234DF902FCQ41021139-76132A6C-5419-45E5-A7FF-513716D899ADQ42170467-D082AB87-BCEA-4BF2-9D38-5D3E028907CBQ44291051-DDFA855B-AFB0-4E29-8AB0-FA0FD2D74E56Q45137650-21BD5E6D-79B4-43A4-A3A5-DF9E46DDC55DQ46196433-330BC0F5-F842-4C65-B3B9-51946CCCD1E3Q46460075-4D2D72FA-8399-4D1C-95CA-F093342D898AQ46569102-47B328E0-5844-496B-BEE2-5E1A1ADAE38BQ46915633-2241354E-8C61-426A-92C3-2CD6706BAB37Q46960192-E7889169-C2B8-4CA3-8923-9AF6E4B5E222Q47202912-ECF25DE5-C259-41E1-ACA6-69A9ECBBACB6Q48314915-DBDCDEF9-F1BA-4830-BD9E-D0CBF38F651DQ50940469-7F223DB7-2F4F-4D1F-9F92-328F10139BCAQ50978597-190FD726-FB14-49EE-AA9B-5872AC992350Q52055305-C9F45F51-0E34-4BB0-96FF-74508BDE6F62Q53450886-287C9C74-6625-45DA-97D9-37F45F5AE08FQ57122561-84813CC8-D173-4B22-BF3A-2CB5DC1E5FC7Q57489617-F10EB228-3849-452F-B950-78D9EE825419Q59034791-E1F859F4-AF7B-4E44-B562-BDBE9E311B13Q59545728-8DE981D2-ED51-48FE-B47B-26BDAAE4CBE2Q59545733-91597896-6225-4D63-A283-4EC5A34F9BC1Q59545740-51A3023C-0FA8-4E4C-A52E-EE17BD365EEDQ59545763-F3A2C707-1C96-49BD-B616-F09292C6CB70Q59545789-E20F9136-01D2-45CD-B239-175685041DCDQ59545798-EAE0D0BD-3276-471D-8310-A02BF2179A33Q60320932-3D1A21C5-050D-437B-B37E-0F406198E6CCQ60435092-4AFCD38A-A487-48D1-B903-B8C78ACF8982Q60435095-85B8DA06-A921-4707-8D0C-0A067F5191B6Q62017251-BDA6B3CC-29DE-4103-91C4-8919466819D6
P50
description
hulumtues
@sq
researcher
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wetenschapper
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հետազոտող
@hy
name
Giuseppe Ermondi
@ast
Giuseppe Ermondi
@en
Giuseppe Ermondi
@es
Giuseppe Ermondi
@nl
Giuseppe Ermondi
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type
label
Giuseppe Ermondi
@ast
Giuseppe Ermondi
@en
Giuseppe Ermondi
@es
Giuseppe Ermondi
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Giuseppe Ermondi
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prefLabel
Giuseppe Ermondi
@ast
Giuseppe Ermondi
@en
Giuseppe Ermondi
@es
Giuseppe Ermondi
@nl
Giuseppe Ermondi
@sl
P106
P1153
6602743907
P21
P31
P496
0000-0003-3710-3102