Lipophilicity is one of many parameters involved in the biological activity drugs, as it affects their pharmacokinetic and pharmacodynamic behavior. Generally, lipophilicity assessed by partition coefficient a compound between nonpolar phase (n-octanol) an aqueous (water), expressed P (partition coefficient) or its decimal logarithm (Log P). The gold standard method for experimental determinati...

e-2-arylmethylen-1- tetralones and e-3-phenylme thylene chromanone-4-ones and their derivatives closely related to flavonoids belong to the plant secondary metabolites most investigated recently.the class of flavonoids is an enormous class of plant secondary metabolites having so different pharmacological effects as inhibition of nitric oxide synthasecancer preventive effect or potential impact...

Lipophilicity is a key physicochemical property that plays a critical role in determining ADMET properties and the overall suitability of drug candidates. Increasing evidence suggests that control of physicochemical properties like lipophilicity, within a defined optimal range, can improve compound quality and the likelihood of therapeutic success. Particular attention to this optimum region of...

In this study, we tested eight naturally-occurring flavonoids-three flavanones and five flavones-for their possible antibacterial properties against four Gram-positive and four Gram-negative bacteria. Flavonoids are known for their antimicrobial properties, and due their structural diversity; these plant-derived compounds are a good model to study potential novel antibacterial mechanisms. The l...

OBJECTIVES This study aimed at measuring the lipophilicity and ionization constants of diastereoisomeric dipeptides, interpreting them in terms of conformational behavior, and developing statistical models to predict them. METHODS A series of 20 dipeptides of general structure NH(2)-L-X-(L or D)-His-OMe was designed and synthetized. Their experimental ionization constants (pK(1), pK(2) and pK...

Compound lipophilicity is of key importance to P450 binding affinity and enzyme selectivity. Here, lipophilicity is discussed with reference to the human drug-metabolizing P450 enzymes of families CYP1, CYP2 and CYP3. From an extensive compilation of log P values for P450 substrates, and by analysis of relationships between partitioning energy and substrate-binding free energy, the relevance of...

BACKGROUND AND AIMS Synthesis of new potential antimicrobial agents and evaluation of their lipophilicity. METHODS Ten new thiazolyl-oxadiazoline derivatives were synthesized and their structures were validated by 1H-NMR and mass spectrometry. The lipophilicity of the compounds was evaluated using the principal component analysis (PCA) method. The necessary data for applying this method were ...

Molecular lipophilicity was studied using salicylamide as a model drug. Log P value for the target compound was experimentally determined by the shake-flask method and calculated using nine different computer programs based on atom/fragment contributions, structural parameters, atom-type electrotopological-state indices and neural network modeling, or topological structure descriptors. Our anal...

In this assay, the evaluation of lipophilicity of four ACE-inhibitors and hydrochlorothiazide (HCTZ) with RP-TLC on cellulose layers was described using three binary solvent systems. The selected ACE inhibitors had sufficiently different structures which can indicate the method suitability for their lipophilicity evaluation as the model substances in comparison with HCTZ. In addition, the linea...