about
Lipophilicity behaviour of the Zwitterionic antihistamine cetirizine in phosphatidylcholine liposomes/water systems.Liposome/water lipophilicity: methods, information content, and pharmaceutical applications.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.Relationship between Passive Permeability and Molecular Polarity Using Block Relevance Analysis.Glycosylated copper(II) ionophores as prodrugs for β-glucosidase activation in targeted cancer therapy.Synthesis, characterization, structure, molecular modeling studies and biological activity of sterically crowded Pt(II) complexes containing bis(imidazole) ligands.The relevance of polar surface area (PSA) in rationalizing biological properties of several cis-diamminemalonatoplatinum(II) derivatives.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.N-Substituted analogues of S-nitroso-N-acetyl-D,L-penicillamine: chemical stability and prolonged nitric oxide mediated vasodilatation in isolated rat femoral arteries.Searching for balanced hybrid NO-donor 1,4-dihydropyridines with basic properties.Molecular factors influencing retention on immobilized artifical membranes (IAM) compared to partitioning in liposomes and n-octanol.The Block Relevance (BR) analysis supports the dominating effect of solutes hydrogen bond acidity on ΔlogP(oct-tol).Oxidosqualene cyclase from Saccharomyces cerevisiae, Trypanosoma cruzi, Pneumocystis carinii and Arabidopsis thaliana expressed in yeast: a model for the development of novel antiparasitic agents.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.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.Conformational 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 CetirizineStructure-Property Relationships in the Basicity and Lipophilicity of Arylalkylamine OxidesOn the complexation of quercetin with methyl-β-cyclodextrin: photostability and antioxidant studiesIn silico design, photostability and biological properties of the complex resveratrol/hydroxypropyl-β-cyclodextrinOn 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 5High throughput methods to measure the propensity of compounds to form intramolecular hydrogen bondingIntegrating Intramolecular Hydrogen Bonding (IMHB) Considerations in Drug Discovery Using ΔlogP As a ToolMolecular interaction fields based descriptors to interpret and compare chromatographic indexesMolecular Interaction Fields (MIFs) to Predict Lipophilicity and ADME Profile of Antitumor Pt(II) Complexes
P50
Q30656849-5E9E1D1F-3B97-414F-BA45-9DBD0823959CQ30909523-A0420A41-BACB-4742-BEB8-4A514F888FC3Q33808066-18A3D767-EC3C-4B51-A15B-B65DB3DCB045Q33979702-43294E5D-85D5-4F17-B7D8-9D77601BD7DBQ37522061-90252828-2AA4-4FA5-8D71-2E828FE20EE0Q39051188-66E3DD20-C830-4F91-A48D-AB6E34E19B41Q39240549-84C81AF6-8053-441B-85DC-3CB513BC62F1Q39573364-12456F85-EB7D-4280-A547-B703F235C7EFQ39819988-8FBE332F-22AD-4FC7-9990-0070A8569EDEQ41021139-395BF0ED-84D9-48DE-B7BB-4EBA2B7EEBD0Q42170467-2E819E4E-EBDE-4093-9648-E6EAB537E6DDQ43189343-63812E6C-ACAA-41BE-92D9-95C9D51150E1Q43702247-3ABB3CBC-6325-476E-9E90-BACC5BDC1946Q44074750-183D1289-385C-4DDE-B69C-375E4DFC174EQ45137650-B9E50A81-FBB2-4377-AE6D-341008BA8E2DQ46177535-1D67F506-47C9-430B-A89A-53ADB374E304Q46196433-CF7F42A8-8B9A-47AB-94B0-C7804980CFEBQ46460075-427C1FD1-E0C7-4475-8F9D-B67495138C13Q46569102-3CFA32B2-1672-4AC5-B01B-18263E01D056Q46915633-F5EC9908-DABF-4C8E-963A-7540245F6CEAQ46960192-C7B12618-260F-4104-985F-6DC6F06F587CQ50940469-BA1A0ECC-A6FC-42DF-80FE-12EB59B60B66Q50978597-F4A3620B-5888-4113-BA6F-751DB02D6343Q52055305-16B028CA-FFE3-4557-82AD-7FAA6C2949A0Q53450886-EC506A1A-121A-4D6E-B5DD-09F5EB82DE56Q57489617-8A3C2516-E09B-4B62-B937-686C5D91F994Q59034791-1A133875-AE88-42E6-AD50-59F6D486F5F8Q59545728-D60DDFF3-AB41-4DE8-BC5D-DEF16496D8B7Q59545733-EB1FA4B7-9915-48FD-B13B-0026F7478CF0Q59545789-1B8DD902-CB45-4B28-94F0-62E9870B4338Q60320922-01607B88-68ED-4F22-9B7A-739EAA818B18Q60320925-1301365D-110D-4070-8DA8-32D5565D60F0Q60320932-6189A0CF-85E2-46D4-B1F6-F1609E46F7EAQ60435092-F0460F7E-8FD9-4B5F-B943-CE6271FAE16BQ60435095-1FA0ABA0-6E3C-4B1A-A814-2FCD6BF873ACQ62017251-2420C3D5-579C-4830-8185-4B7951C8EE75Q62017252-B1216706-9AC6-4092-9F2A-558EFF7DEE3DQ62017255-99B712DE-1F2D-47F6-8CF7-171CE60F7D25Q62017257-ED84DE95-BD86-482E-A708-A127350C4341Q62017258-5500DC4B-3210-4A8C-BA1C-643F92D00DD1
P50
description
hulumtuese
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Giulia Caron
@ast
Giulia Caron
@en
Giulia Caron
@es
Giulia Caron
@nl
Giulia Caron
@sl
type
label
Giulia Caron
@ast
Giulia Caron
@en
Giulia Caron
@es
Giulia Caron
@nl
Giulia Caron
@sl
prefLabel
Giulia Caron
@ast
Giulia Caron
@en
Giulia Caron
@es
Giulia Caron
@nl
Giulia Caron
@sl
P106
P1153
7005430971
P21
P31
P496
0000-0002-2417-5900