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Russian journal of bioorganic chemistry
Consultants Bureau
Russian journal of bioorganic chemistry

Consultants Bureau

1068-1620

Russian journal of bioorganic chemistry/Journal Russian journal of bioorganic chemistrySCICCRISTP
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    Carbohydrate Structure Database and Other Glycan Databases as an Important Element of Glycoinformatics

    Shirkovskaya, A. I.Toukach, P. V.
    10页
    查看更多>>摘要：Carbohydrates are one of the most chemically diverse classes of biomolecules. The amount of accumulated information on carbohydrates is far beyond the level allowing navigation in this data ocean without special tools, which are glycomic databases and prognostic services built on top of these data. Existing databases, focused on solving the particular challenges in glycoscience, are not fully compatible with each other in coverage, data formats, and features served to users. Major problems in the modern glyco-databases include data quality, gaps in coverage, and absence of a widely accepted carbohydrate notation. Most demanded are databases with broad coverage, which can provide a universal dataspace on structures, properties, and functions of carbohydrates, associated with taxonomy and other features of their natural sources. In the framework of the Carbohydrate Structure Database (CSDB) project, we created a database architecture aimed at development of the extensible glycoinformatic portal with continuous maintenance and regular content updates. This architecture was implemented in software free of drawbacks typical for glycomic databases. For the 15 years of existence, CSDB has become the main source of data on glycans of microorganisms, and a platform for multiple carbohydrate-related services. This project includes a global-scale database of natural carbohydrates; among its key features are free access, annual data deposition and updates, search and correction of errors (including those in publications), and regular announcement of new services.
      原文链接:
    • NSTL
    • Springer Nature

    Fluorescent Probes for HOCl Detection in Living Cells

    Reut, V. E.Gorudko, I. V.Grigorieva, D. V.Sokolov, A. V....
    24页
    查看更多>>摘要：Hypochlorous acid (HOCl) plays an important role in the immune system not only protecting the organism from pathogens, but also, due to its high reactivity, provoking the development and complication of many diseases. Therefore, the development of highly sensitive and selective HOCl biosensors, including fluorescent probes, to better understand the roles of HOCl in living systems, is of great importance. Nevertheless, there are many difficulties associated with HOCl registration in biological probes (chemo- and photostability, cytotoxicity, fluorescence and absorption characteristics, selectivity, sensitivity, etc.). Thus, the development of new chemosensors has been relevant for many years. In this review, we describe classification of small-molecule probes for HOCl detection in biological systems, as well as summarize the results of the development of chemosensors, their photophysical properties, and biological applications. Particular attention is paid to the achievements in this area over the years 2016-2021. A number of problems related to the design and application of small-molecule probes are formulated. Due to the absence of a "gold standard" among the HOCl chemosensors, which is associated with the commercial unavailability or complex methods of synthesis of new sensors as well, some recommendations are given regarding the field of the chemosensor application. Trends in the development of fluorescent chemosensors for HOCl visualization in living cells are outlined.
      原文链接:
    • NSTL
    • Springer Nature

    Pyrazinamide Analogs Designed for Rational Drug Designing Strategies against Resistant Tuberculosis

    Alghamdi, S.Asif, M.
    22页
    查看更多>>摘要：Tuberculosis (TB) is a granulomatous infection that is still the biggest cause of death across the world. TB is a leading cause of death among those living with the Human Immunodeficiency Virus (HIV) and those who have acquired immune deficiency syndrome (HIV/AIDS), accounting for one out of every three HIV deaths. Multidrug-resistant (MDR) and extensively drug-resistant (XDR) TB are also on the rise, posing a major threat to global TB control efforts. And they've contributed to the situation's complexity. The emergence of MDR-TB strains demands the development of new molecular scaffolds. One possible method to combat drug resistance is to modify and reposition current anti-TB or old medications to produce derivatives that can work on resistant Mycobacterium bacilli. When compared to innovative medicines found by standard drug design and development methods, these might have a longer half-life, higher bioavailability, be more effective, and be more cost-effective. Although much research has been done on the effects of first-line drugs such as isoniazid, pyrazinamide, and rifampicin on drug-susceptible Mycobacterium tuberculosis (Mtb), little has been done on the effects of derivatives on resistant Mtb. As a result, the purpose of this research is to provide a brief overview of pyrazinamide derivatives, which have the potential to overcome resistance to the parent drug and serve as viable alternatives. Pyrazinamide derivatives' potential for developing new chemical entities (NCEs) to treat mycobacterial infections is yet unclear.
      原文链接:
    • NSTL
    • Springer Nature

    Synthesis of Disaccharide Xylf beta 1-2Man beta, the Core Fragment of Plant N-Glycoproteins

    Tsygankova, S., VPazynina, G., VParamonov, A. S.Chizhov, A. O....
    6页
    查看更多>>摘要：The disaccharide Xyl beta 1-2Man beta was synthesized for the first time in a spacer-armed form. This structural fragment is typical of the N-chains of plant cell glycoproteins and is not found in mammals. It is assumed that plants have proteins that specifically recognize the Xyl beta 1-2Man beta motif; therefore, molecular probes based on this disaccharide are of interest for searching, isolating, and finding the cellular localization of Xyl beta 1-2Man beta-recognizing lectins and enzymes.
      原文链接:
    • NSTL
    • Springer Nature

    O-Antigens of Azospirillum zeae N7(T), Azospirillum melinis TMCY 0552(T), and Azospirillum palustre B2(T): Structure Elucidation and Analysis of Biosynthesis Genes

    Sigida, E. N.Grinev, V. S.Zdorovenko, E. L.Dmitrenok, A. S....
    10页
    查看更多>>摘要：O-specific polysaccharides have been isolated from lipopolysaccharides of the Azospirillum zeae N7, Azospirillum melinis TMCY 0552, and Azospirillum palustre B2 type bacterial strains. Using one- and two-dimensional H-1- and C-13 NMR spectroscopy and sugar analysis including the determination of the absolute configurations of monosaccharides, it has been found that the isolated polysaccharides consist of branched tetrasaccharide repeating units of the following structure: -> 3)-alpha-L-Rhap2OAc-(1 -> 2)-[beta-D-Glcp-(1 -> 3)]-alpha-L-Rhap-(1 -> 3)-alpha-L-Rhap-(1 ->, which has been previously described for a number of Azospirillum strains assigned to serogroup III. Functions of genes responsible for the biosynthesis of O-antigens have been identified by comparison with the sequences presented in the available databases, and a high level of their homology has been shown.
      原文链接:
    • NSTL
    • Springer Nature

    Expression of Cellulose Synthase Genes During the Gravistimulation of Flax (Linum usitatissimum) and Poplar (Populus alba x tremula) Plants

    Mikshina, P., VGorshkova, T. A.Mokshina, N. E.
    14页
    查看更多>>摘要：Plant cellulose is synthesized on the plasma membrane by the cellulose synthase complex and a number of coenzymes. Different cellulose synthases are thought to be involved in the primary and secondary cell wall biosynthesis. Plant fibers, such as flax phloem fibers and xylem fibers of poplar tension wood, produce a tertiary cell wall with increased cellulose content and a lack of xylan and lignin. The composition and types of cellulose synthase complexes involved in the tertiary cell wall biosynthesis have not yet been established. Based on transcriptome data for flax (Linum usitatissimum) and poplar (Populus alba x tremula) plants, we evaluated the expression of genes encoding cellulose synthases during the development of a gravitropic response with the participation of the phloem and/or xylem fibers producing the tertiary cell wall. Changes in the expression of cellulose synthase genes characteristic of both primary and secondary cell walls in various model systems indicate the mobility of an ensemble of different cellulose synthases during the gravistimulation, which can affect both an individual cell type and a set of tissues with different types of cell walls. For the isolated flax phloem fibers, the involvement of both types of cellulose synthases in the formation of the tertiary cell wall at all stages of graviresponse was demonstrated.
      原文链接:
    • NSTL
    • Springer Nature

    Synthesis of Brassinosteroid Tetrahemisuccinates and Their Effect on the Initial Growth of Spring Barley Plants

    Litvinovskaya, R. P.Manzhalesava, N. E.Savachka, A. P.Khripach, V. A....
    5页
    查看更多>>摘要：For the first time, conjugates of 24-epibrassinolide and 24-epicastasterone with succinic acid were obtained in the form of tetrahemisuccinates by the reaction of brassinosteroids with succinic acid anhydride in the presence of dimethylaminopyridine. In laboratory test experiments it was found that the compounds obtained have a noticeable effect on the sowing quality of seeds and the growth of seedlings of spring barley plants. The effect of the conjugates in a number of tests exceeded the growth-regulating effects of the corresponding brassinosteroids, succinic acids, and a mixture of these phytohormones.
      原文链接:
    • NSTL
    • Springer Nature

    Design, Synthesis, and Structure-Activity Relationships of Novel 1-(Substituted)-2-Methyl-3-(4-Oxo-2-Methylquinazolin-3(4H)-yl) Isothioureas for Their Anti-HIV and Antibacterial Activities

    Alagarsamy, VSulthana, M. T.Chitra, K.Solomon, V. Raja...
    9页
    查看更多>>摘要：In this study, a novel quinazolinone analogue was designed and synthesized by substituting the thiourea group and phenyl ring at N-3 and C-2 positions of the quinazoline ring, respectively. The prepared analogue was tested for its antibacterial, antitubercular and anti-HIV potencies. The agar dilution method was used to test the antibacterial potency of entire prepared derivatives against various gram-positive and gram-negative microorganism strains. Compound 1-(3-chlorophenyl)-2-methyl-3-(4-oxo-2-methylquinazolin-3(4H)-yl)isothioureas (Xi) shown most potent activity against Klebsiella pneumoniae, Proteus vulgaris, and Staphylococcus epidermidis at 1.6 mu g/mL. The compound (Xi) exhibited the antitubercular activity at the minimum microgram of 6.25 mu g/mL and anti-HIV activity at 1.17 mu g/mL against HIV1 and HIV2. The compound (Xi) offers a potential lead for further optimization and development to new antitubercular and anti-HIV agents. The results obtained from this study confirm that the synthesized and biologically evaluated quinazolines showed promising antimicrobial, antitubercular, and anti-HIV activities and new scaffolds for antimicrobial activity.
      原文链接:
    • NSTL
    • Springer Nature

    Design, Synthesis, and Antitumor Activity of New N4-Alkyl-N2-Phenyl-Pyrrolo[3,2-d]Pyrimidine-2,4-Diamine Derivatives as CDK6 Inhibitors

    Huang, ChuanhuiWang, ShanMa, Weifeng
    8页
    查看更多>>摘要：In this study, a series of new N4-alkyl-N2-phenyl-pyrrolo[3,2-d]pyrimidine-2,4-diamine derivatives has been designed and synthesized. The anti-proliferative activities of these compounds were evaluated against human breast cancer cells and human gastric cancer cells. The CDK6 inhibitory activities of these compounds were tested as well. The most potent compound (IVj) showed super antitumor activities than the positive control palbociclib and good CDK6 inhibitory activity. The probable binding model of (IVj) with CDK6 was simulated by molecular docking.
      原文链接:
    • NSTL
    • Springer Nature

    Design, Synthesis, and Molecular Docking Studies of Some New Quinoxaline Derivatives as EGFR Targeting Agents

    Badithapuram, VinithaNukala, Satheesh KumarThirukovela, Narasimha SwamyDasari, Gouthami...
    11页
    查看更多>>摘要：The synthesis of some new quinoxaline derivatives (IVa-n) and their structure determination using H-1 NMR, C-13 NMR and mass spectral analysis was described herein. The in vitro anti-cancer activity of the these compounds (IVa-n) revealed that the compound1-((1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazolidine-3,5-dione (IVd) has shown promising activity, whereas, compounds 1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazolidine-3,5-dione (IVa), 1-(tetrazolo[1,5-a]quinoxalin-4-yl)-2-((1-(m-tolyl)-1H-1,2,3-triazol-4-yl)methyl)pyrazolidine-3,5-dione (IVb), 1-((1-(3,5-dimethoxyphenyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazolidine-3,5-dione (IVh) and 1-((1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazolidine-3,5-dione (IVi) exhibited good to moderate activity against four human cancer cell lines such as HeLa, MCF-7, HEK 293T, and A549 as compared to the doxorubicin. Predominantly, the compound displayed excellent activity over HeLa, MCF-7, HEK 293T, and A549 with IC50 values of 3.20 +/- 1.32, 4.19 +/- 1.87, 3.59 +/- 1.34, and 5.29 +/- 1.34 mu M, respectively. Moreover, molecular docking studies of derivatives (IVa-n) on EGFR receptor suggested that the most potent compound strongly binds to protein EGFR (pdbid:4HJO) and the energy calculations of in silico studies were also in good agreement with the obtained IC50 values.
      原文链接:
    • NSTL
    • Springer Nature