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Vol 23, No 4 (2020)

Articles

Influence of deflufenican herbicide on the chemical composition of essential oil Elsholtzia ciliata (Thunb.) Hyl

Baibekov R.F., Dmitrieva V.L., Belopukhov S.L., Dmitriev L.B., Suchkova L.O.

Abstract

The effect of foliar treatment of plants with a phytoindesaturase herbicide inhibitor on the content and composition of the essential oil (EM) of Elsholtzia ciliata (Thunb.) Hyl. It has been established that, depending on the concentration of the drug, the hormonal balance in the redox enzymatic complex changes, which is manifested in a change in the composition of the EM, in particular, in the content of the main components: ketone elsholtion and ketone dehydroelsoltion. Processing plants E. ciliata (Thunb.) Hyl. drug diflufenikan causes a change in the hormonal balance in the multienzyme complex of the biosynthesis of essential oils, mainly affecting the balance of redox enzymatic systems. The intensity and nature of the effect depends on the concentration of the active substance in the solution: when the concentration of diflufenicane is 0.05 g/l, the inhibitory effect of the drug on the processes of biosynthesis of essential oils is observed. Treatment with the drug in lower concentrations of 0.005 and 0.0005 g/l leads to a shift in the equilibrium of the redox enzyme system towards the activation of dehydrogenases and an increase in the amount of ketone in the essential oil. Pre-harvesting plants with E. ciliata (Thunb.) Hyl. diflufenikan allows you to purposefully influence the change in the content of the main components of essential oils in the direction of the formation of more unsaturated components, which increases the antioxidant properties of the oil and its antimicrobial and antiviral activity.
Problems of Biological Medical and Pharmaceutical Chemistry. 2020;23(4):3-9
pages 3-9 views

Computer simulation as a tool to study ligand potential of lactate

Kuzmicheva V.I., Gilmiyarova F.N., Avdeeva E.V.

Abstract

The study of the protein-small molecule interaction of the is an actual direction of modern fundamental science. The expansion of knowledge in this area is largely due to the emergence of possibilities for modeling the biological activity of compounds in silico. The aim of the study is to identify potential protein partners for lactate interaction using the computer software STITCH 5.0. Methods. The STITCH program (http://stitch.embl.de/) was used to predict the protein partners of the lactate. This program builds a prognosis for possible interaction with proteins based on a mathematical algorithm calculated on the inhibition constant, as well as using information available in open libraries of chemical structures. Contains 430 000 chemical compounds, 9 600 000 proteins, 2031 model organism. We chose to graphically display the obtained results depending on the affinity of the bond, with the degree of probability of Pa>0.5. Results. A total of 367 potential lactate protein partners were identified. The possibility of intermediate interaction with mitochondrial pyruvate carrier, aquaporines, influence on hormonal signal and nerve impulse transmission, and have a neuroprotective effect was predicted. Conclusion. The data obtained indicate an extensive nonmetabolic role of lactate in the regulation of various biological processes, which determines new approaches to the formation of experimental models to confirm the predicted effects.
Problems of Biological Medical and Pharmaceutical Chemistry. 2020;23(4):10-15
pages 10-15 views

Features of forensic chemical analysis non-steroidal anti-inflammatory drugs in the Krasnoyarsk Regional Bureau of Forensic Medicine for the period 2016-2018 years

Kutyakov V.A., Dmitrieva K.A.

Abstract

Relevance. The use of non-steroidal anti-inflammatory drugs (NSAIDs) is not limited to medical indications. Drugs are often used to relieve pain in drug addiction, so they are often found during forensic analysis along with psychoactive substances. The identification and measurement of the concentration of any toxicants is important for establishing a causal relationship between their use and harm to health or death. Purposes of the work: to identify the use of NSAIDs by different groups of consumers; determination of the possibility of using these drugs as indirect markers of the use of controlled substances; establishing a correlation between the joint detection of NSAIDs and controlled substances; comparison of detected concentrations of substances with therapeutic, toxic, lethal concentrations. The research material was the results of the work of the forensic chemical department of the Krasnoyarsk Bureau of Forensic Medical Examination for 2016-2018. Biological material research methods included liquid-liquid extraction of compounds from objects, gas chromatography with mass spectral detection after derivatization. The results of forensic chemical studies were processed and interpreted using factor, regression, and correlation analysis methods. Results. Data were obtained on the age-sex characteristics of NSAIDs consumers, a positive correlation between the use of NSAIDs and controlled substances, the range of concentrations of NSAIDs in cadaveric blood was determined. Conclusions. An increase in the detection of NSAIDs during forensic chemical studies was revealed. The main consumers of this group of medicines are persons aged 31 to 45 years; the number of male consumers prevails over women. Detection of NSAIDs in biological fluids of cadavers and a strong positive correlation may serve as markers of possible intravital use of controlled substances. Excess toxic concentrations of NSAIDs in cadaveric blood was recorded in 0.33% of cases, typical only for ibuprofen and ketorolac.Key words: forensic chemical analysis, non-steroidal anti-inflammatory drugs, controlled substances, use marker, correlation.
Problems of Biological Medical and Pharmaceutical Chemistry. 2020;23(4):16-24
pages 16-24 views

Quantitative «structure-property» relationship of anti-influenza medicines

Odnovorov A.I., Pletneva T.V., Morozova M.A.

Abstract

Objective. To identify and analyze the correlations between the structural features of APIs (active pharmaceutical ingredient) of influenza drugs and their biological activity. Materials and methods. Anti-influenza drugs: neuraminidase inhibitors, M2-channel blockers, hemagglutinin inhibitor, cap- dependent endonuclease inhibitor. For the correlation analysis, two topological indices were chosen - the Wiener index (W) and the Balaban index (J). To calculate the topological indices, the «ChemicDescript» program was used. A graphical representation of the results was performed using the Origin software package (OriginLab Corporation, USA). Results. The dependences "topological index - property" are analyzed for both individual substances and groups of anti-influenza drugs. A large degeneracy of the Wiener index was revealed - a linear correlation is observed for preparations of different chemical groups. The results confirm the possibility of using the Balaban index for homologous compounds, which is especially clearly demonstrated by the group of neuraminidase inhibitors. Conclusion. Dependencies between the structure (topological indices) and the biological properties of APIs were revealed, which can be further used to predict the properties and biological activity of new influenza drugs.
Problems of Biological Medical and Pharmaceutical Chemistry. 2020;23(4):25-32
pages 25-32 views

The study of flavonoid composition and antioxidative activity of nootropic species

Dorovskikh E.A., Trashchenkova D.A., Kovaleva T.Y., Ermakova V.A.

Abstract

In modern society, necessity for neuroprotectors is increasing, including drugs with nootropic and antioxidant effects. Chemical screening of nootropic species showed the presence of various groups of biologically active substances. Phenolic compounds are dominant, including flavonoids, which are known for their antioxidative activity. The aim. To conduct a study of the qualitative composition and quantitative content of flavonoids and determine the antioxidant activity of the developed nootropic species. Material and methods. Qualitative analysis was carried out by TLC. The quantitative content of flavonoids was determined by spectrophotometric method. The antioxidant activity of nootropic species was proved by spectrophotometric method based on the inhibition reaction of 2,2-diphenyl-1-picrylhydrazyl radical (DPPH). Results. As a result of the research, the qualitative composition of the nootropic species was studied. Up to 9 phenolic compounds were found, among them the following compounds were identified: rutin, quercetin, hyperoside, and chorogenic acid. The sum of flavonoids in terms of rutin in the nootropic species was 2.22 ± 0.11%. As a result of the research, the antioxidant activity of nootropic species was proved, the IC50 value was 6.33 ± 0.25 mg / ml. Conclusion. As a result of the study, the qualitative composition of the nootropic species was examined and the sum of flavonoids in terms of rutin was determined. The antioxidant activity of nootropic species has been proven.
Problems of Biological Medical and Pharmaceutical Chemistry. 2020;23(4):33-37
pages 33-37 views

Choice of an effective method of biological objects preparation for research of pharmacokinetics of monomecaine

Karpenko Y.N., Saidov N.D., Bulgakova E.A., Malkova T.L.

Abstract

Monomecaine is an original biologically active compound with antiarrhythmic action, synthesized in Perm State Pharmaceutical Academy. At the stage of preclinical pharmacokinetic research, among other things, the processes of distribution of a potential drug in the organs and tissues of laboratory animals are studied. The purpose of the work was to select optimal conditions for isolation of monomecaine from biological objects using the liquid-liquid extraction method. Material and methods. The research was carried out on model mixtures of homogenized liver of laboratory animals with the addition of 25, 50, 100 mcg monomecaine. During the development of methods of isolating the substance at the stage of infusion tested polar solvents: water and acetonitrile, at the stage of extraction - organic solvents: chloroform, methyltretbutyl ether. The quantitative determination of monomecaine in the extractions was carried out by high perfomance liquid chromatography on the chromatograph "LC-20 Prominence" (Shimadzu) with a diode matrix detector. Results. In the course of the experiment it was found that monomecaine is most effectively extracted by infusion of biological object with acetonitrile with subsequent extraction of chloroform. The degree of extraction of monomecaine from liver tissue was over 80%. Conclusions. The developed method provides a high degree of extraction of the investigated substance, is notable for its reproducibility, simplicity of execution and can be used in preclinical pharmacokinetic studies.
Problems of Biological Medical and Pharmaceutical Chemistry. 2020;23(4):38-41
pages 38-41 views

Development of a quantitative determination method of a new quinozalinino derivative 2-benzoilamino-n-[4-(4,6-dimethylpyrimidin- 2-ilsulfamoil)-phenyl]-benzamide method of non-water titration

Borovskij B.V., Koval’ N.O., Kompancev V.A., Kodonidi I.P.

Abstract

In the course of preclinical testing of the substance, research is needed aimed at developing methods of analysis, standardization and the creation of a regulatory document - a pharmacopeia article (FS). To assess the quality of pharmaceutical substances, various quantitative methods are used (titrimetric, chromatographic, spectral). Many methods use standard samples, which are very difficult to obtain when developing methods of a new biologically active substance. The titrimetric methods of pharmaceutical analysis are quite accurate, affordable, simple and do not require complex and expensive equipment and reagents. The purpose of this study is the development and validation of a method for the quantitative determination of the investigated substance - 2-benzoylamino-N- [4-(4,6-dimethylpyrimidin-2-ylsulfamoyl) phenyl] benzamide. During pharmacological studies, anxiolytic, actoprotective and antidepressant activities were established for this compound. Material and methods. The objects of study were the studied samples of the substance 2-benzoylamino-N-[4-(4,6-dimethylpyrimidin-2-ylsulfamoyl) phenyl] benzamide synthesized at the Department of Organic Chemistry of the Pyatigorsk Medical and Pharmaceutical Institute. Results. The results of the developed procedure for the quantitative determination by a non-aqueous titration method of a new quinosalinone derivative of 2-benzoylamino-N-[4-(4,6-dimethylpyrimidin-2-ylsulfamoyl) phenyl] benzamide are presented. It has been shown that the solvent system is the most protogenic medium for the substance under study. glacial acetic acid - formic acid 10:10 ml. When developing the method using the crystalline violet indicator, the average content of the test substance is 97.12%, the relative error is 2.21%. The potentiometric determination of the end point of the titration showed that the average content of the test substance is 98.67%, the relative error is 1.57%. Conclusion. Thus, we have developed a method for the quantitative determination of a new quinosalinone derivative with pharmacological activity - 2-benzoylamino-N- [4- (4,6-dimethylpyrimidin-2-ylsulfamoyl) phenyl] benzamide. The end point of the titration is determined along with the classic indicator crystal violet, it is proposed to carry out using the potentiometric method. A validation assessment of the developed methodology was carried out according to the indicators: linearity, convergence and correctness.
Problems of Biological Medical and Pharmaceutical Chemistry. 2020;23(4):42-49
pages 42-49 views

Development and validation of a spectrophotometric method for the quantitative analysis of the substance of a new biologically active compound 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4(3H)-quinazolinone

Gendugov T.A., Shcherbakova L.I., Ozerov А.А., Glushko A.A.

Abstract

The purpose of the work is to study the possibility of using spectrophotometry in the UV region for the quantitative determination of a previously unstudied substance of 3- [2- (4-phenyl-1-piperazino) -2-oxoethyl] -quinazolin-4 (3H) -one (VMA-10 -21), as well as the development and validation of methods for its quantitative determination. Material and methods. In the course of the experiment, the analytical equipment was used: spectrophotometer SF-56, analytical balance RADWAG AS 220/C/2, measuring dishes of the 1st accuracy class. The optical density of the test solutions was measured at a wavelength of 275 nm in cuvettes with a layer thickness of 10 mm. As a comparison solution used 1% solution of hydrochloric acid. Validation of the presented methodology was carried out according to indicators: linearity, precision and correctness. Processing of the experimental data was carried out according to OFS.1.1.0013.15 GF XIV edition. The specific absorption index was calculated using a standard sample of substance VMA-10-21, the purity of which was proved using the HPLC method. Results. The spectrum of the substance VMA-10-21 in the ultraviolet region was represented by two absorption bands with maxima at wavelengths of 235 and 275 nm. The use of a wavelength at a wavelength of 275 nm is justified. The specific absorption index at the selected wavelength was calculated. A quantitative determination technique has been developed which, according to validation parameters, linearity, precision and correctness complies with the requirements of OFS.1.1.0012.15 GF of the XIV edition. Conclusions. The possibility of using spectrophotometry in the UV region for the quantitative determination of the substance VMA-10- 21 was studied. A spectrophotometric method for the quantitative determination of the basic substance in the substance VMA-10-21 was developed and validated.
Problems of Biological Medical and Pharmaceutical Chemistry. 2020;23(4):50-55
pages 50-55 views

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