Pub Date : 2023-09-01DOI: 10.29235/1561-8323-2023-67-4-345-352
Y. Herman, S. V. Semchenko, I. Sheiko
Nowadays, due to the current economic situation in the Republic, the sheep breeding of Belarus is developing intensively, since there is a need for mutton in the global market. In some regions, work is already underway to create a promising herd of sheep with high meat productivity. An obligatory element of breeding activities is the evaluation of stud rams for the quality of the progeny, the accuracy of which determines the effectiveness of the selection process. The article contains the results on the development of zootechnical rules for evaluation of selection traits of the Romanov breed sheep that was conducted at the RUE “Vitebsk breeding enterprise”. The object of research was purebred Romanov breed animals that had been used in pedigree breeding since 2017. As a result of research, parameters for sheep ranking by a set of selection traits, algorithms for determining individual and complex estimated breeding values of rams, ewes, and young animals were developed. This will allow the most rational zootechnical measures and evaluation of fur coat and meat type breeding sheep.
{"title":"Indicators of zootechnical evaluation of fur coat and meat type sheep","authors":"Y. Herman, S. V. Semchenko, I. Sheiko","doi":"10.29235/1561-8323-2023-67-4-345-352","DOIUrl":"https://doi.org/10.29235/1561-8323-2023-67-4-345-352","url":null,"abstract":"Nowadays, due to the current economic situation in the Republic, the sheep breeding of Belarus is developing intensively, since there is a need for mutton in the global market. In some regions, work is already underway to create a promising herd of sheep with high meat productivity. An obligatory element of breeding activities is the evaluation of stud rams for the quality of the progeny, the accuracy of which determines the effectiveness of the selection process. The article contains the results on the development of zootechnical rules for evaluation of selection traits of the Romanov breed sheep that was conducted at the RUE “Vitebsk breeding enterprise”. The object of research was purebred Romanov breed animals that had been used in pedigree breeding since 2017. As a result of research, parameters for sheep ranking by a set of selection traits, algorithms for determining individual and complex estimated breeding values of rams, ewes, and young animals were developed. This will allow the most rational zootechnical measures and evaluation of fur coat and meat type breeding sheep.","PeriodicalId":41825,"journal":{"name":"DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI","volume":" ","pages":""},"PeriodicalIF":0.1,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46009051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-06DOI: 10.29235/1561-8323-2023-67-3-257-264
T. A. Romanova, N. Ivakhnenko, A. N. Chervan’
A set of data for eight soil varieties are considered using the spectrum of properties included into the program of fundamental research of genetic soil science. To expand our understanding of the essence of soil formation and soil nature, the sustainable land use principles, we studied the properties of autochonous moistening of soils developed on loess-like loams as a basis of diagnosis of their genesis and diversity. It is found that soils differ from soil-like bodies. Soil genesis is identified as a function of water conditions. The role of microbiota are established as a basis of rock conversion into soil. The models for chemical differentiation of profiles and bioenergy potential of soils are analyzed. The studies performed favor increasing the utilization efficiency of soils based on their genesis together with diagnosis of water conditions as a marker and informing soil maps providing the development of precision farming systems.
{"title":"Diagnostic genesis markers of soils in Belarus","authors":"T. A. Romanova, N. Ivakhnenko, A. N. Chervan’","doi":"10.29235/1561-8323-2023-67-3-257-264","DOIUrl":"https://doi.org/10.29235/1561-8323-2023-67-3-257-264","url":null,"abstract":"A set of data for eight soil varieties are considered using the spectrum of properties included into the program of fundamental research of genetic soil science. To expand our understanding of the essence of soil formation and soil nature, the sustainable land use principles, we studied the properties of autochonous moistening of soils developed on loess-like loams as a basis of diagnosis of their genesis and diversity. It is found that soils differ from soil-like bodies. Soil genesis is identified as a function of water conditions. The role of microbiota are established as a basis of rock conversion into soil. The models for chemical differentiation of profiles and bioenergy potential of soils are analyzed. The studies performed favor increasing the utilization efficiency of soils based on their genesis together with diagnosis of water conditions as a marker and informing soil maps providing the development of precision farming systems.","PeriodicalId":41825,"journal":{"name":"DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI","volume":" ","pages":""},"PeriodicalIF":0.1,"publicationDate":"2023-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46080897","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-06DOI: 10.29235/1561-8323-2023-67-3-214-221
V. Lemesh, S. I. Gryb, A. V. Lagunovskaya, V. Kipen, A. A. Buloĭchik, V. N. Bushtevich, V. Sakovich
Using the KASP technology, the allelic composition of TaTGW6-A1, TaGASR7-A1, TaCKX6-D1, and TaGs3-D1 loci associated with the 1000-grain weight trait was identified in 25 varieties and variety accessions of the common wheat of Belarusian and foreign breeding. Annotated DNA sequences were selected for modeling and synthesis of KASP primers. It was demonstrated that the examined genotypes had carried both favorable alleles associated with 1000-grain weight, and the alleles producing a negative effect on the trait under study. Six wheat accessions of Belarusian breeding were identified. They carried a complex of alleles positively correlating with the 1000-grain weight trait: variety Vestochka-17, accessions E-2318, E-2263, E-2298, E-1569, and E-2695.
{"title":"KASP genotyping of loci associated with the “1000-grain weight” trait in common wheat (Tríticum aestívum L.)","authors":"V. Lemesh, S. I. Gryb, A. V. Lagunovskaya, V. Kipen, A. A. Buloĭchik, V. N. Bushtevich, V. Sakovich","doi":"10.29235/1561-8323-2023-67-3-214-221","DOIUrl":"https://doi.org/10.29235/1561-8323-2023-67-3-214-221","url":null,"abstract":"Using the KASP technology, the allelic composition of TaTGW6-A1, TaGASR7-A1, TaCKX6-D1, and TaGs3-D1 loci associated with the 1000-grain weight trait was identified in 25 varieties and variety accessions of the common wheat of Belarusian and foreign breeding. Annotated DNA sequences were selected for modeling and synthesis of KASP primers. It was demonstrated that the examined genotypes had carried both favorable alleles associated with 1000-grain weight, and the alleles producing a negative effect on the trait under study. Six wheat accessions of Belarusian breeding were identified. They carried a complex of alleles positively correlating with the 1000-grain weight trait: variety Vestochka-17, accessions E-2318, E-2263, E-2298, E-1569, and E-2695.","PeriodicalId":41825,"journal":{"name":"DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI","volume":" ","pages":""},"PeriodicalIF":0.1,"publicationDate":"2023-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46267307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-06DOI: 10.29235/1561-8323-2023-67-3-250-256
M. Demidenko, D. Adamchuk, A. P. Rusanov, S. V. Sirotkin, L. Ivanko, S. A. Maksimenko
The article describes a technological set-up and the synthesis methodology of boron-enriched pyrolytic carbon (B-PyC). The chemical vapor deposition (CVD) approach lies in the basis of the methodology. The synthesis occurs on the inner surface of a cylindrical graphite assembly indirectly heated to the temperatures of 1450–1570 °C. Controlled low-density flows of nitrogen, boron trichloride and carbonaceous gases react in the assembly, producing a B-PyC film deposited on the graphite substrate. The set-up has been designed to provide fabrication of B-PyC plates possessing features required for heart valve endoprosthesis: chemical inertia and biocompatibility combined with high hardness, high elasticity, and long operating life. The morphology and chemical composition of the material have been studied by electron scanning microscopy and Raman spectroscopy. The material is used at the “Electronmash Plant” for fabrication of heart valve endoprosthesis leaflets.
{"title":"Boron-enriched pyrolitic carbon: material for biomedical and engineering applications","authors":"M. Demidenko, D. Adamchuk, A. P. Rusanov, S. V. Sirotkin, L. Ivanko, S. A. Maksimenko","doi":"10.29235/1561-8323-2023-67-3-250-256","DOIUrl":"https://doi.org/10.29235/1561-8323-2023-67-3-250-256","url":null,"abstract":"The article describes a technological set-up and the synthesis methodology of boron-enriched pyrolytic carbon (B-PyC). The chemical vapor deposition (CVD) approach lies in the basis of the methodology. The synthesis occurs on the inner surface of a cylindrical graphite assembly indirectly heated to the temperatures of 1450–1570 °C. Controlled low-density flows of nitrogen, boron trichloride and carbonaceous gases react in the assembly, producing a B-PyC film deposited on the graphite substrate. The set-up has been designed to provide fabrication of B-PyC plates possessing features required for heart valve endoprosthesis: chemical inertia and biocompatibility combined with high hardness, high elasticity, and long operating life. The morphology and chemical composition of the material have been studied by electron scanning microscopy and Raman spectroscopy. The material is used at the “Electronmash Plant” for fabrication of heart valve endoprosthesis leaflets.","PeriodicalId":41825,"journal":{"name":"DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI","volume":" ","pages":""},"PeriodicalIF":0.1,"publicationDate":"2023-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44660886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-06DOI: 10.29235/1561-8323-2023-67-3-222-230
N. Nikitchenko, H. Yatskiu, E. Siniauskaya, H. Bialkevich, I. Kazyra, N. Dostanko, V. Yagur, R. Goncharova
Genes of interest – STAT4, PTPN2 and PTPN22 – are components of the JAK-STAT signaling pathway, one of the important regulators of the immune system. The JAK-STAT pathway plays a key role in the development of both systemic lupus erythematosus (SLE) and its manifestation, lupus nephritis (LN) by mediating interferon levels and promoting IFN-induced gene expression. We investigated the allele and genotypes frequencies at the polymorphic loci of the STAT4 (rs7574865, rs3821236), PTPN2 (rs2542151, rs7234029) and PTPN22 (rs2476601) genes in groups of children (n = 37) and adults (n = 63) with SLE and LN. The control group included children (n = 420) and adults (n = 345) without autoimmune diseases. The analysis of the combined group of pediatric and adult patients revealed that the rs7574865 polymorphic locus of the STAT4 gene is associated with the risk of developing SLE (Т: OR 1,99 [1,42–2,79], р = 0,0001; TT: OR 3,36 [1,64–6,87], р = 0,0018) and LN (Т: OR 1,91 [1,32–2,78], р = 0,0008; TT: OR 4,25 [2,02–8,95], р = 0,0004). These associations also persisted when analyzing the pediatric and adult groups of patients with SLE and LN separately. Moreover, the rs7574865 polymorphic locus of the STAT4 gene appears to be a common genetic risk factor for autoimmune diseases development. The association of the polymorphic locus rs2542151 of the PTPN2 gene with the SLE (G: OR 1,66 [1,12–2,47], p = 0,014; GT: OR 1,74 [1,10–2,77], р = 0,021) and LN (G: OR 1,87 [1,21–2,88], р = 0,006; GT: OR 1,90 [1,13–3,18], р = 0,017) susceptibility was also found in a combined group of patients. The polymorphic loci rs7234029 in the PTPN2 gene and rs2476601 in the PTPN22 gene were not associated with SLE or LN regardless of the age of the patients.
{"title":"Polymorphism of some JAK-STAT pathway genes and its regulators in patients with systemic lupus erythematosus and lupus nephritis in Repubic of Belarus","authors":"N. Nikitchenko, H. Yatskiu, E. Siniauskaya, H. Bialkevich, I. Kazyra, N. Dostanko, V. Yagur, R. Goncharova","doi":"10.29235/1561-8323-2023-67-3-222-230","DOIUrl":"https://doi.org/10.29235/1561-8323-2023-67-3-222-230","url":null,"abstract":"Genes of interest – STAT4, PTPN2 and PTPN22 – are components of the JAK-STAT signaling pathway, one of the important regulators of the immune system. The JAK-STAT pathway plays a key role in the development of both systemic lupus erythematosus (SLE) and its manifestation, lupus nephritis (LN) by mediating interferon levels and promoting IFN-induced gene expression. We investigated the allele and genotypes frequencies at the polymorphic loci of the STAT4 (rs7574865, rs3821236), PTPN2 (rs2542151, rs7234029) and PTPN22 (rs2476601) genes in groups of children (n = 37) and adults (n = 63) with SLE and LN. The control group included children (n = 420) and adults (n = 345) without autoimmune diseases. The analysis of the combined group of pediatric and adult patients revealed that the rs7574865 polymorphic locus of the STAT4 gene is associated with the risk of developing SLE (Т: OR 1,99 [1,42–2,79], р = 0,0001; TT: OR 3,36 [1,64–6,87], р = 0,0018) and LN (Т: OR 1,91 [1,32–2,78], р = 0,0008; TT: OR 4,25 [2,02–8,95], р = 0,0004). These associations also persisted when analyzing the pediatric and adult groups of patients with SLE and LN separately. Moreover, the rs7574865 polymorphic locus of the STAT4 gene appears to be a common genetic risk factor for autoimmune diseases development. The association of the polymorphic locus rs2542151 of the PTPN2 gene with the SLE (G: OR 1,66 [1,12–2,47], p = 0,014; GT: OR 1,74 [1,10–2,77], р = 0,021) and LN (G: OR 1,87 [1,21–2,88], р = 0,006; GT: OR 1,90 [1,13–3,18], р = 0,017) susceptibility was also found in a combined group of patients. The polymorphic loci rs7234029 in the PTPN2 gene and rs2476601 in the PTPN22 gene were not associated with SLE or LN regardless of the age of the patients.","PeriodicalId":41825,"journal":{"name":"DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI","volume":" ","pages":""},"PeriodicalIF":0.1,"publicationDate":"2023-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42939700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-06DOI: 10.29235/1561-8323-2023-67-3-231-241
V. Slizen, A. Akhremchuk, L. Surkova, G. L. Gurevich, L. Titov
A whole genome sequencing was performed of strain M. tuberculosis 11502 (NCBI biosamples database, access code SAMN17832565) that was assigned to the Beijing genotype subtype B0/W148 of cluster 100-32, based on the MIRU- VNTR loci (n = 24) structure, a nd t hat exhibited pre-extended d rug resistance. M. tuberculosis 11502 was resistant to isoniazid, rifampicin, ethambutol, levofloxacin, and ethionamide, which correlated with the presence of mutations in the genes: resistance to isoniazid – the mutations in the fabG1 promoter (p.-8T>C), the katG promoter (p.S315T), to ethionamide – the mutations in ethA (deletion of T at position 4 335 027 (gatgc-gagc)); to fluoroquinolones – in the gyrA gene (p.D94G); to ethambutol – in the embB gene (p.M306I); to streptomycin – in the rpsL gene (p.K43R). M. tuberculosis 11502 genome (Gen- Bank NCBI access code – CP070338) contained 4 420 561 base pairs, 4 104 genes, 4 053 CDSs (coding proteins – 3 874) and differed from reference strain M. tuberculosis H37Rv by the presence of 2 055 mutations. A slight drift of mutations towards the G+C accumulation was revealed, which indicates the importance of maintaining a high G+C content in the Mycobacterium spp.genome Strain M. tuberculosis 11502 has a higher number of mutations in comparison to previously sequenced M. tuberculosis 4860 (GenBank Access Code, NCBI: CP053092) belonging to the LAM genotype (2055 vs. 1577 mutations), which may be a consequence of a longer circulation of M. tuberculosis 11502, or some biological features providing the promutagenic effect.
{"title":"Characteristic of the Mycobacterium tuberculosis genome of Beijing genotype of cluster 100-32 displaying pre-extended drug resistance","authors":"V. Slizen, A. Akhremchuk, L. Surkova, G. L. Gurevich, L. Titov","doi":"10.29235/1561-8323-2023-67-3-231-241","DOIUrl":"https://doi.org/10.29235/1561-8323-2023-67-3-231-241","url":null,"abstract":"A whole genome sequencing was performed of strain M. tuberculosis 11502 (NCBI biosamples database, access code SAMN17832565) that was assigned to the Beijing genotype subtype B0/W148 of cluster 100-32, based on the MIRU- VNTR loci (n = 24) structure, a nd t hat exhibited pre-extended d rug resistance. M. tuberculosis 11502 was resistant to isoniazid, rifampicin, ethambutol, levofloxacin, and ethionamide, which correlated with the presence of mutations in the genes: resistance to isoniazid – the mutations in the fabG1 promoter (p.-8T>C), the katG promoter (p.S315T), to ethionamide – the mutations in ethA (deletion of T at position 4 335 027 (gatgc-gagc)); to fluoroquinolones – in the gyrA gene (p.D94G); to ethambutol – in the embB gene (p.M306I); to streptomycin – in the rpsL gene (p.K43R). M. tuberculosis 11502 genome (Gen- Bank NCBI access code – CP070338) contained 4 420 561 base pairs, 4 104 genes, 4 053 CDSs (coding proteins – 3 874) and differed from reference strain M. tuberculosis H37Rv by the presence of 2 055 mutations. A slight drift of mutations towards the G+C accumulation was revealed, which indicates the importance of maintaining a high G+C content in the Mycobacterium spp.genome Strain M. tuberculosis 11502 has a higher number of mutations in comparison to previously sequenced M. tuberculosis 4860 (GenBank Access Code, NCBI: CP053092) belonging to the LAM genotype (2055 vs. 1577 mutations), which may be a consequence of a longer circulation of M. tuberculosis 11502, or some biological features providing the promutagenic effect.","PeriodicalId":41825,"journal":{"name":"DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI","volume":" ","pages":""},"PeriodicalIF":0.1,"publicationDate":"2023-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45517052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-06DOI: 10.29235/1561-8323-2023-67-3-242-249
D. A. Dominikovskaya
The issues of formation of the earth’s crust in the Early Precambrian are considered: the primary composition of a protomatter, the time of its occurrence and evolution, the participation of endogenous and cosmic forces in its transformation in two main periods of formation of the protocrust – pregeological (4.65–4.0 billion years) and geological (4.0–1.65 billion years) consisting of three stages. The rock associations, their mineral and chemical composition, and successive transformation at each stage, as well as the petrological results for rocks during the formation of the earth’s crust are described. The formation of a variety of rock formations from a single igneous protomatter, which manifested itself on the entire planet Earth, is substantiated. The indicator value of potassium-sodium ratios in rock associations is shown to determine the formation of their belonging, the magnitudes of growth of these ratios in the process of evolution are revealed, and their use is proposed to assess a relative age of rock formations.
{"title":"Primary nature, composition, and evolution of the early precambrian protocore in ancient platforms and endogenous processes of its transformation","authors":"D. A. Dominikovskaya","doi":"10.29235/1561-8323-2023-67-3-242-249","DOIUrl":"https://doi.org/10.29235/1561-8323-2023-67-3-242-249","url":null,"abstract":"The issues of formation of the earth’s crust in the Early Precambrian are considered: the primary composition of a protomatter, the time of its occurrence and evolution, the participation of endogenous and cosmic forces in its transformation in two main periods of formation of the protocrust – pregeological (4.65–4.0 billion years) and geological (4.0–1.65 billion years) consisting of three stages. The rock associations, their mineral and chemical composition, and successive transformation at each stage, as well as the petrological results for rocks during the formation of the earth’s crust are described. The formation of a variety of rock formations from a single igneous protomatter, which manifested itself on the entire planet Earth, is substantiated. The indicator value of potassium-sodium ratios in rock associations is shown to determine the formation of their belonging, the magnitudes of growth of these ratios in the process of evolution are revealed, and their use is proposed to assess a relative age of rock formations.","PeriodicalId":41825,"journal":{"name":"DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI","volume":" ","pages":""},"PeriodicalIF":0.1,"publicationDate":"2023-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46967222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-06DOI: 10.29235/1561-8323-2023-67-3-207-213
T. Lakhvich, V. M. Ryneiskaya, N. S. Golyak, N. Yurkshtovich, K. E. Nasennikava, F. A. Lakhvich
The activity of Rivaroxoban of oxazolidinone series against Mycobacterium terrae was investigated in silico and in vitro. In silico studies have shown a high binding affinity of Rivaroxaban to β-ketoacyl[ACP]synthase I that plays a key role in the biosynthesis of mycolic acids, being the components of the mycobacterial cell wall. In the molecular docking study, two main binding sites of Rivaroxaban with protein were predicted and evaluated: the minimum binding energies were found for the both sites with the values of –10.26 kcal/mol and –8.99 kcal/mol. A solution of Rivaroxaban (200 μg/ml) has been shown to inhibit the growth of a Mycobacterium terrae culture. The data obtained open up the prospect of developing new effective anti-tuberculosis drugs of oxazolidinone series.
{"title":"Anti-tuberculosis activity of Rivaroxabane in silico and in vitro","authors":"T. Lakhvich, V. M. Ryneiskaya, N. S. Golyak, N. Yurkshtovich, K. E. Nasennikava, F. A. Lakhvich","doi":"10.29235/1561-8323-2023-67-3-207-213","DOIUrl":"https://doi.org/10.29235/1561-8323-2023-67-3-207-213","url":null,"abstract":"The activity of Rivaroxoban of oxazolidinone series against Mycobacterium terrae was investigated in silico and in vitro. In silico studies have shown a high binding affinity of Rivaroxaban to β-ketoacyl[ACP]synthase I that plays a key role in the biosynthesis of mycolic acids, being the components of the mycobacterial cell wall. In the molecular docking study, two main binding sites of Rivaroxaban with protein were predicted and evaluated: the minimum binding energies were found for the both sites with the values of –10.26 kcal/mol and –8.99 kcal/mol. A solution of Rivaroxaban (200 μg/ml) has been shown to inhibit the growth of a Mycobacterium terrae culture. The data obtained open up the prospect of developing new effective anti-tuberculosis drugs of oxazolidinone series.","PeriodicalId":41825,"journal":{"name":"DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2023-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41406574","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-06DOI: 10.29235/1561-8323-2023-67-3-197-206
A. Andrianov, K. V. Furs, M. Shuldau, A. Tuzikov
De novo design of 95 775 potential ligands of SARS-CoV-2 main protease (Mpro), playing an important role in the process of virus replication, was carried out using a deep learning generative neural network that was developed previously based on artificial intelligence technologies. Molecular docking and molecular dynamics methods were used to evaluate the binding affinity of these molecules to the catalytic site of the enzyme. As a result, 7 leading compounds exhibiting Gibbs free energy low values comparable with the values obtained using an identical computational protocol for two potent non-covalent SARS-CoV-2 Mpro inhibitors used in calculations as a positive control were selected. The results obtained indicate the promise of applying identified compounds for development of new antiviral drugs able to inhibit the catalytic activity of SARSCoV-2 Mpro.
{"title":"De novo design of potential SARS-CoV-2 main protease inhibitors using artificial intelligence and molecular modeling technologies","authors":"A. Andrianov, K. V. Furs, M. Shuldau, A. Tuzikov","doi":"10.29235/1561-8323-2023-67-3-197-206","DOIUrl":"https://doi.org/10.29235/1561-8323-2023-67-3-197-206","url":null,"abstract":"De novo design of 95 775 potential ligands of SARS-CoV-2 main protease (Mpro), playing an important role in the process of virus replication, was carried out using a deep learning generative neural network that was developed previously based on artificial intelligence technologies. Molecular docking and molecular dynamics methods were used to evaluate the binding affinity of these molecules to the catalytic site of the enzyme. As a result, 7 leading compounds exhibiting Gibbs free energy low values comparable with the values obtained using an identical computational protocol for two potent non-covalent SARS-CoV-2 Mpro inhibitors used in calculations as a positive control were selected. The results obtained indicate the promise of applying identified compounds for development of new antiviral drugs able to inhibit the catalytic activity of SARSCoV-2 Mpro.","PeriodicalId":41825,"journal":{"name":"DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI","volume":" ","pages":""},"PeriodicalIF":0.1,"publicationDate":"2023-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47174606","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-06DOI: 10.29235/1561-8323-2023-67-3-189-196
A. Ryabushko, T. Zhur
Within the framework of Newtonian celestial mechanics, a material system is considered. It consists of two spherically symmetrical bodies of comparable masses moving inside a gas dust ball with a spherically symmetrical density distribution of the medium in it. Problems are formulated and solved. They give an answer to the degree of influence of the gravitational field of an inhomogeneous medium on the motion stability of bodies and their mass center relative to the coordinates of the bodies, the coordinates of their mass center, as well as on the orbital stability according to Lyapunov. Additionally, the problems of the motion stability of bodies in the sense of Lagrange and Poisson are considered. It is proved that the gravitational field of a spherically symmetrically distributed medium transforms the considered motions, which are stable in vacuum, into unstable ones in the sense of Lagrange, Poisson, Lyapunov. Some numerical estimates related to instabilities are presented. They show that for popular pairs of stars and pairs of galaxies in an inhomogeneous medium, their additional displacements of the order of many millions of kilometers arise. When dark matter is taken into account, the displacements should not be an order of magnitude greater than the last estimate. The noted instabilities are a consequence of a secular displacement along the cycloid or deformed cycloid of the mass center of the system of two bodies and the absence of a barycentric coordinate system when taking into account the influence of the gravitational field of a spherically symmetrically distributed medium on the motion of bodies (the considered material system is not closed). It is proved that for this system, circular and elliptical orbits of bodies cannot exist. Instead of these orbits, we have “turns” shown in the figure given in the article. In planetary systems (such as the Solar System) immersed into an inhomogeneous medium, the displacements of the mass centers are negligible and therefore we can assume that circular and elliptical orbits can practically exist.
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