scholarly journals STUDY OF THE BIOLOGICAL ACTIVITY DESCRIPTORS OF THE BARBITURIC ACID DERIVATIVES

2020 ◽  
Vol 11 (2) ◽  
Author(s):  
Suzana Apostolov ◽  
Đenđi Vaštag ◽  
Borko Matijević ◽  
Gorana Mrđan ◽  
Jelena Nakomčić
Keyword(s):  
Biological Activity ◽  
Barbituric Acid ◽  
Linear Regression Analysis ◽  
Reversed Phase ◽  
Chromatographic Behavior ◽  
Organic Modifiers ◽  
Test Organisms ◽  
The Central Nervous System ◽  
Chromatographic Parameters ◽  
Barbituric Acid Derivatives

Barbituric acid derivatives have been pharmacologically significant compounds for decades. The central nervous system effects are conditioned by the presence of the pyrimidine-trione ring and the nature of the substituent in position 5. Lipophilicity as one of the key molecular descriptors of biological activity for selected barbituric acid derivatives was determined experimentally, using reversed-phase thin layer chromatography (RP TLC18 F254s), in two solvent systems. The influence of the substituent’s nature and the effects of applied organic modifiers on the chromatographic behavior of the tested derivatives were examined. For the studied derivatives the values of the partition coefficient (logP) as a standard measure of lipophilicity and effective concentration (EC50) as a measure of acute toxicity for different test organisms were calculated applying the appropriate software packages. Dependence between the chromatographic parameters as assumed measures of lipophilicity and the software-derived biological activity parameters of the studied barbituric acid derivatives were studied by linear regression analysis.

scholarly journals Chromatographic parameters as tools for predicting the biological activity of azo derivatives

2021 ◽  
Vol 40 (1) ◽  
pp. 29
Author(s):  
Suzana Apostolov ◽  
Gyöngyi Vastag
Keyword(s):  
Biological Activity ◽  
Reversed Phase ◽  
Multivariate Methods ◽  
Electronic Effects ◽  
Preliminary Assessment ◽  
Linear Relationships ◽  
Chromatographic Parameter ◽  
Azo Derivatives ◽  
Chromatographic Parameters ◽  
Layer Chromatography

Preliminary assessment of the bioactive profile of azo derivatives was performed applying drug-likeness rules. As the presumed criteria of lipophilicity chromatographic parameters (RM0, m and C0) were calculated in mixtures water/ methanol and water/ acetonitrile by using reversed phase thin-layer chromatography (RPTLC C18/ UV254s). The relationships between chromatographic parameters and relevant software parameters of biological activity of azo derivatives were examined by linear regression and by two multivariate methods. Good linear relationships for each applied system were obtained. The multivariate methods show similarity of the chromatographic parameters (RM0, C0) with standard measure of lipophilicity and pharmacokinetic predictors. The chromatographic parameter m obtained in the same conditions exhibits better agreement with the drug-likeness and toxicity parameters. On the values of azo derivatives’ bioactivity parameters the polarity of the substituent has higher impact than its electronic effects.

scholarly journals STUDYING OF THE LIPOPHILICITY AND TOXICITY OF DIPHENYLACETAMIDE DERIVATIVES

2018 ◽  
Vol 9 (1) ◽  
Author(s):  
Suzana Apostolov ◽  
Đenđi Vaštag ◽  
Borko Matijević ◽  
Gorana Mrđan
Keyword(s):  
Thin Layer ◽  
Thin Layer Chromatography ◽  
Reversed Phase ◽  
Biologically Active ◽  
Log P ◽  
Organic Modifiers ◽  
Modern Approach ◽  
Software Packages ◽  
Test Organisms ◽  
Layer Chromatography

Modern approach in the study of biologically active compounds includes the establishment of relationships between molecular structure, physicochemical properties and the behavior which studied compound can manifest in the biological medium. These examinantions are performed in the early stages of the design of future bioactive agent and require the knowledge of molecular descriptors that can point to its biological activity, including lipophilicity which occupies a key position. For the series of diphenylacetamide derivatives, lipophilicity is determined experimentally by thin-layer chromatography on reversed phase (RP TLC18 F254s), in mixtures of water and various organic modifiers and computationally, by using the relevant software packages. In order to estimate the potential acute toxicity of the tested diphenylacetamide derivatives, their effective concentrations, EC50, on the selected test organisms have been determined. Experimentally determined lipophilicity (RM 0 and m) is correlated with a standard measure of lipophilicity (log P), as well as with the selected parameters of toxicity. Thus it has been found that thin-layer chromatography on reversed phase can be used reliably for describing the lipophilicity and for the evaluation of the toxic effects of diphenylacetamide derivatives.

scholarly journals APPLICATION OF THE CHROMATOGRAPHIC PARAMETERS IN THE ASSESSMENT OF AMIDE DERIVATIVES’ BIOLOGICAL POTENTIAL

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Suzana Apostolov ◽  
Borko Matijević ◽  
Gorana Mrđan ◽  
Đenđi Vaštag
Keyword(s):  
Biological Activity ◽  
Chemical Properties ◽  
Reversed Phase ◽  
Biologically Active ◽  
Linear Regression Method ◽  
Organic Modifiers ◽  
Statistical Validation ◽  
Biological Potential ◽  
Amide Derivatives ◽  
Validation Parameters

In silico approach is increasingly used in modern design to establish the qualitative / quantitative dependence between structure, physico-chemical properties and biological activity of the new molecule. The selection and application of appropriate molecular descriptors are important step in this process. Given the presence of the amide group in numerous pharmacologically and biologically active molecules, in the pharmaceutical and chemical industries its formation represents an eternal challenge and a significant transformation in the design of the synthetic plan. Evaluation of the biological potential of selected amide derivatives included theoretical and experimental determination of their lipophilicity, analysis of their bioavailability, study of their pharmacokinetic predictors and ecotoxicity parameters. The parameters (RM0, m and C0) obtained by applying reversed-phase thin layer chromatography (RP TLC18 F254s) in the presence of two organic modifiers, as assumed measures of lipophilicity of the examined amide derivatives were correlated with the studied parameters of biological activity by the linear regression method. The quality of the obtained mathematical models was confirmed by the values of statistical validation parameters.

scholarly journals APPLICATION OF THIN LAYER CHROMATOGRAPHY IN EXAMINATION OF THE BIOLOGICAL ACTIVITY PARAMETERS OF AZO DYES

2018 ◽  
Vol 9 (2) ◽  
Author(s):  
Đeni Vaštag ◽  
Suzana Apostolov ◽  
Borko Matijević ◽  
Gorana Mrđan
Keyword(s):  
Biological Activity ◽  
Thin Layer ◽  
Thin Layer Chromatography ◽  
Azo Dyes ◽  
Linear Regression Analysis ◽  
Log P ◽  
Synthetic Dyes ◽  
Organic Modifiers ◽  
Wide Range ◽  
Layer Chromatography

Thanks to the wide range of applications, azo dyes have a special place among synthetic dyes. Also, the application of azo dyes is conditioned by their impact on humans and the environment. Lipophilicity as one of the most important molecular descriptors indicating the potential biological activity of the compound is determined experimentally for selected derivatives of azo dyes using reversed phase thin-layer chromatography (RP TLC18 F254s) in the mixtures of water and two organic modifiers. By using the relevant software packages for the studied azo dyes, the values of partition coefficient (log P) were calculated as standard measure of lipophilicity, important pharamacokinetic predictors and the values of the effective concetration (EC50) as the criteria of acute toxicity for different test organisms. The relationships between chromatographic parameters (RM 0 and m) and calculated biological activity parameters were studied by linear regression analysis.

scholarly journals Aspiration Deaths Among Adults in Istanbul

2014 ◽  
Vol 18 (1) ◽  
pp. 14-19
Author(s):  
Haşim Asil ◽  
Çağlar Özdemir ◽  
İbrahim Üzün ◽  
Hakan Kar ◽  
Mete Korkut Gülmen
Keyword(s):  
Gastric Content ◽  
Barbituric Acid ◽  
Blood Alcohol Concentration ◽  
Final Diagnosis ◽  
Alcohol Concentration ◽  
Small Airways ◽  
Food Material ◽  
Toxicological Analysis ◽  
The Central Nervous System ◽  
Barbituric Acid Derivatives

Massive aspiration of food is rare, but most common in people under the influence of alcohol or a drug and comatose patients who have impaired functioning of the central nervous system. The finding of small amounts of food material in the airway at autopsy does not indicate the true vital aspiration because of agonal or even early post-mortem overspills. Occlusion of the small airways, mainly the membranous and respiratory bronchioles, partial or total filling of bronchiolar lumen and the alveolar spaces with food or gastric content were typical morphologic findings. In our 10 year retrospective study we presented the data of 21 male and 4 female cases with a final diagnosis of fatal aspiration in age from 23 to 78 years (45.43±14.61) from the records of Morgue Specialization Department of the Council of Forensic Medicine. 13 cases found death at the scene without an eyewitness. All deaths were accidental in manner except one homicide. Toxicological analysis revealed blood alcohol concentration levels between 161 and 339 mg/dL in 7 cases. Morphine metabolites, benzodiazepine and barbituric acid derivatives, toluene and acetone were detected in 5 subjects. Aspirated materials were food in 14 cases, chewing gum in 3 cases, gastric content in 7 cases and a fabric gag in one case.The history, other evidence of external vomit on the clothing or immediate surroundings and toxicological analysis are by no means as significant as autopsy findings especially in cases of aspiration.Key words : adult; aspiration; death; autopsy

The Effect of Barbituric Acid Derivatives on Platelet Function in Vitro and in Vivo

1973 ◽  
Vol 30 (02) ◽  
pp. 315-326
Author(s):  
J. Heinz Joist ◽  
Jean-Pierre Cazenave ◽  
J. Fraser Mustard
Keyword(s):  
Platelet Aggregation ◽  
Platelet Function ◽  
Barbituric Acid ◽  
Platelet Rich Plasma ◽  
Inhibitory Effect ◽  
Primary Response ◽  
Sodium Pentobarbital ◽  
Barbituric Acid Derivatives

SummarySodium pentobarbital (SPB) and three other barbituric acid derivatives were found to inhibit platelet function in vitro. SPB had no effect on the primary response to ADP of platelets in platelet-rich plasma (PRP) or washed platelets but inhibited secondary aggregation induced by ADP in human PRP. The drug inhibited both phases of aggregation induced by epinephrine. SPB suppressed aggregation and the release reaction induced by collagen or low concentrations of thrombin, and platelet adherence to collagen-coated glass tubes. The inhibition by SPB of platelet aggregation was readily reversible and isotopically labeled SPB did not become firmly bound to platelets. No inhibitory effect on platelet aggregation induced by ADP, collagen, or thrombin could be detected in PRP obtained from rabbits after induction of SPB-anesthesia.

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