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Home Institute Research Laboratories Laboratory of carbohydrates and biocides named after Academician N. K. Kochetkov (№ 21)
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Laboratory of carbohydrates and biocides named after Academician N. K. Kochetkov (№ 21)

D.Sc. Vereshchagin Anatoly Nikolaevich
Chief: D.Sc. Vereshchagin Anatoly Nikolaevich
ORCID: 0000-0001-8675-4943 Researcher ID: M-4057-2016 h-index = 23
Main directions of research

Bacterial Polysaccharides Study Group

  • Structure and application of cell wall and capsule polysaccharides of medically important bacteria (Escherichia, Shigella, Yersinia, Enterobacter, Acinetobacter) and phytopathogenic microorganisms (Pseudomonas, Pantoea, Pectobacterium).
  • Degradation mechanisms of bacterial polysaccharides by bacteriophage depolymerases — potential antibacterial agents.
  • Synthesis of conjugates based on oligosaccharide fragments of bacterial polysaccharides as potential vaccines.
  • Development of new methods for the structural analysis of natural complex carbohydrates.

 

Glycoinformatics group

The group's efforts are aimed on enriched carbohydrate science with all the power of modern computer technologies, providing scientists with easy access to data, creating services for generalizing knowledge, modeling glycomic objects and predicting their properties, and developing the information technologies necessary for this. Current areas of the work:

 

  • Glycoinformatics platform “Carbohydrate Structure Database” [http://csdb.glycoscience.ru], as the basis for web services and a complete, regularly updated curated database of natural carbohydrates of prokaryotic, fungal and vegetable origin;
  • Сurated glycosyltransferase database [http://csdb.glycoscience.ru/gt.html] for the three most studied species of bacteria, plants and fungi;
  • Сhemical shift model, a new approach to spectrum prediction, 1D and 2D NMR simulation service for carbohydrates and their derivatives with unprecedented average accuracy of 0.6 (13C) and 0.07 (1H) ppm. (GODDESS [http://csdb.glycoscience.ru/goddess.html]);
  • Model and web service for predicting the primary structure of carbohydrates from NMR spectra and other easily obtained experimental data (GRASS [http://csdb.glycoscience.ru/grass.html]).

 

Biocide Study Group

  • Synthesis of new cationic biocides, in particular quaternary ammonium compounds (QACs), which have broad antibacterial, antifungal and antiviral effects;

  • Quantitative structure–activity relationship study of new type QACs, directed synthesis of target molecules;

 

  • Creation of new antiseptic formulations based on hit-compounds.

 

Selected publications of recent years
Frolov, N.; Detusheva, E.; Fursova, N.; Ostashevskaya, I.; Vereshchagin, A. Microbiological Evaluation of Novel Bis-Quaternary Ammonium Compounds: Clinical Strains, Biofilms, and Resistance Study. Pharmaceuticals 2022, 15, 514. DOI: 10.3390/ph15050514.
Vereshchagin, A.N.; Frolov, N.A.; Egorova, K.S.; Seitkalieva, M.M.; Ananikov, V.P. Quaternary Ammonium Compounds (QACs) and Ionic Liquids (ILs) as Biocides: From Simple Antiseptics to Tunable Antimicrobials. International Journal of Molecular Sciences 2021, 22, 6793. DOI: 10.3390/ijms22136793.
Popova A.V., Shneider M.M., Arbatsky N.P., Kasimova A.A., Senchenkova S.N., Shashkov A.S., Dmitrenok A.S., Chizhov A.O., Mikhailova Y.V., Shagin D.A., Sokolova O.S., Timoshina O.Y., Kozlov R.S., Miroshnikov K.A., Knirel Y.A. “Specific interaction of novel Friunavirus phages encoding tailspike depolymerases with corresponding Acinetobacter baumannii capsular types”. J. Virol., 2021, 95, e01714-20. DOI: 10.1128/JVI.01714-20.
Knirel Y.A., Van Calsteren M.-R. “Bacterial Exopolysaccharides”, Comprehensive Glycoscience (2nd edition), Ed. J.J. Barchi, Elsevier, 2021, 21-95. DOI: 10.1016/B978-0-12-819475-1.00005-5.
Zdorovenko E.L., Dmitrenok A.S., Masi M., Castaldi S., Muzio F.M., Isticato R., Valverde C., Knirel Y.A., Evidente A. “Structural studies on the O-specific polysaccharide of the lipopolysaccharide from Pseudomonas donghuensis strain SVBP6, with antifungal activity against the phytopathogenic fungus Macrophomina phaseolina”, Int. J. Biol. Macromol., 2021, 182, 2019-2023. DOI: 10.1016/j.ijbiomac.2021.05.187.
Toukach P., Kapaev R., Egorova K. “From structure to spectrum and vice versa: NMR services of Carbohydrate Structure Database”, Glycoinformatics, 2nd ed. Ed. Lütteke T. Springer, 2021.
Vereshchagin A.N., Frolov N.A., Egorova K.S., Seitkalieva M.M., Ananikov V.P., “Quaternary Ammonium Compounds (QACs) and Ionic Liquids (ILs) as Biocides: From Simple Antiseptics to Tunable Antimicrobials”, Int. J. Mol. Sci., 2021, 22, 6793. DOI: 10.3390/ijms22136793.
Frolov N.A., Fedoseeva K.A., Hansford K.A., Vereshchagin A.N., “Novel phenyl based bis-quaternary ammonium compounds as broad-spectrum biocides”, ChemMedChem., 2021, accepted manuscript. DOI: 10.1002/cmdc.202100284.
Shneider M.M., Lukianova A.A., Evseev P.V., Shpirt A.M., Kabilov M.R., Tokmakova A.D., Miroshnikov K.K., Obraztsova E.A., Baturina O.A., Shashkov A.S., Ignatov A.N., Knirel Y.A., Miroshnikov K.A. Autographivirinae Bacteriophage Arno 160 infects Pectobacterium carotovorum via depolymerization of the bacterial O-polysaccharide. Int. J. Mol. Sci., 2020, 21, 3170. DOI: 10.3390/ijms21093170.
Scherbinina S.I., Toukach Ph.V. “Three-dimensional structures of carbohydrates and where to find them”, Int. J. Mol. Sci., 2020, 21, 7702. DOI: 10.3390/ijms21207702
Науменко О.И., Сенченкова С.Н., Книрель Ю.А. “О-Специфические полисахариды нового вида энтеробактерий Escherichia albertii, близкородственных E. coli”, Биоорган. химия, 2019, 45, 576-587 (Russ. J. Bioorg. Chem., 2019, 45, 451-462). DOI: 10.1134/S1068162019060293.
Ledov V.A., Golovina M.E., Markina A.A., Knirel Y.A., L'vov V.L., Kovalchuk A.L., Aparin P.G. “Highly homogeneous tri-acylated S-LPS acts a novel clinically applicable vaccine against Shigella flexneri 2a infection”. Vaccine, 2019, 37, 1062-1072. DOI: 10.1016/j.vaccine.2018.12.067.
Knirel Y.A., Naumenko O.I., Senchenkova S.N., Perepelov A.V. “Химические методы избирательного расщепления гликозидных связей в структурном анализе бактериальных полисахаридов”, Успехи химии, 2019, 88, 406-424 (Russ. Chem. Rev., 2019, 88, 406-424). DOI: 10.1070/RCR4856.
Vereshchagin A.N., Gordeeva A.M., Frolov N.A., Proshin P.I., Hansford K.A., Egorov M.P., “Synthesis and Microbiological Properties of Novel Bis-Quaternary Ammonium Compounds Based on Biphenyl Spacer”, Eur. J. Org. Chem., 2019, 4123-4127. DOI: 10.1002/ejoc.201900319.
Naumenko, O.I.; Zheng, H.; Shashkov, A.S.; Sun, Y.; Senchenkova, S.y.N.; Bai, L.; Wang, J.; Wang, H.; Li, Q.; Knirel, Y.A., et al. Escherichia albertii EA046 (O9) harbors two polysaccharide gene clusters for synthesis of the O-antigen by the Wzx/Wzy-dependent pathway and a mannan shared by Escherichia coli O8 by the Wzm/Wzt-dependent pathway. International Journal of Biological Macromolecules 2020, 142, 609-614, DOI: 10.1016/j.ijbiomac.2019.09.135
Chernyshov I.Yu., Toukach Ph.V. “REStLESS: automated translation of glycan sequences from residue-based notation to SMILES and atomic coordinates”, Bioinformatics, 2018, 34, 2679-2681. DOI: 10.1093/bioinformatics/bty168.
Egorova K.S., Toukach Ph.V. “Glycoinformatics: bridging isolated islands in the sea of data”, Angew. Chem. Int. Ed., 2018, 57, 14986-14990. DOI: 10.1002/anie.201803576.
Hou X., Perepelov A.V., Guo X., Senchenkova S.N., Shashkov A.S., Liu B., Knirel Y.A., Wang L. “A gene cluster at an unusual chromosomal location responsible for the novel O-antigen synthesis in Escherichia coli O62 by the ABC-transporter-dependent pathway”. Glycobiology, 2017, 27, 669-676. DOI: 10.1093/glycob/cwx030.
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Laboratory of carbohydrates and biocides named after Academician N. K. Kochetkov (№ 21) ORCID: 0000-0001-8675-4943 Researcher ID: M-4057-2016 h-index = 23 ST LUCE https://zioc.ru/ 5 100 .00 RUB http://schema.org/InStock
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