Search Results - "Švedas, V. K."

Analysis of Glycosyl-Enzyme Intermediate Formation in the Catalytic Mechanism of Influenza Virus Neuraminidase Using Molecular Modeling by Kirilin, E. M., Švedas, V. K.

“…Using classical molecular dynamics, constant-pH molecular dynamics simulation, metadynamics, and combined quantum mechanical and molecular mechanical approach,…”
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The role of Tyr102 residue in the functioning of bacterial NAD+-dependent formate dehydrogenase of Pseudomonas sp. 101 by Popinako, А.V., Pometun, А.А., Nilov, D.K., Dibrova, D.V., Khrustalev, V.V., Khrustaleva, T.A., Iurchenko, T.S., Nikolaeva, А.Yu, Švedas, V.K., Boyko, K.М., Tishkov, V.I., Popov, V.О.

“…Once you have missed the first button …, you'll never manage to button up Johann Wolfgang von Goethe Formate oxidation is a final step of methanol oxidation in…”
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Structural Organization and Dynamic Characteristics of the Binding Site for Conformational Rearrangement Inhibitors in Hemagglutinins from H3N2 and H7N9 Influenza Viruses by Podshivalov, D. D., Kirilin, E. M., Konnov, S. I., Švedas, V. K.

“…Computer models of hemagglutinins from the H3N2 and H7N9 influenza viruses were developed to study structural organization and dynamic characteristics of the…”
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Bioinformatic analysis of alpha/beta-hydrolase fold enzymes reveals subfamily-specific positions responsible for discrimination of amidase and lipase activities by Suplatov, D.A., Besenmatter, W., Švedas, V.K., Svendsen, A.

“…Superfamily of alpha-beta hydrolases is one of the largest groups of structurally related enzymes with diverse catalytic functions. Bioinformatic analysis was…”
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Penicillin Acylase: A Retrospective Study of the Kinetics and Thermodynamics of Practically Significant Reactions by Panin, N. V., Guranda, D. T., Shapovalova, I. V., Švedas, V. K.

“…This review considers the contribution of works carried out at the scientific school of Ilya Vasilievich Berezin to research on the kinetics and thermodynamics…”
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Modeling of the Enzyme—Substrate Complexes of Human Poly(ADP-Ribose) Polymerase 1 by Nilov, D. K., Pushkarev, S. V., Gushchina, I. V., Manasaryan, G. A., Kirsanov, K. I., Švedas, V. K.

“…Poly(ADP-ribose) polymerase 1 (PARP-1) is a key DNA repair enzyme and an important target in cancer treatment. Conventional methods of studying the reaction…”
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Expression of glyceraldehyde-3-phosphate dehydrogenase from M. tuberculosis in E. coli. Purification and characteristics of the untagged recombinant enzyme by Schmalhausen, E.V., Shumkov, M.S., Muronetz, V.I., Švedas, V.K.

“…The goal of the present work was to produce glyceraldehyde-3-phospate dehydrogenase from M. tuberculosis in E. coli cells in soluble and catalytically active…”
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Specificity of Penicillin Acylases in Deprotection of N-Benzyloxycarbonyl Derivatives of Amino Acids by Morozova, I A, Guranda, D T, Panin, N V, Švedas, V K

“…Changes in the structure of the N-acyl group in N-acylated amino acid derivatives significantly affect both the recognition and activity of penicillin acylases…”
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2,5-Diketopiperazines: A New Class of Poly(ADP-ribose)polymerase Inhibitors by Nilov, D. K., Yashina, K. I., Gushchina, I. V., Zakharenko, A. L., Sukhanova, M. V., Lavrik, O. I., Švedas, V. K.

“…We show for the first time that natural 2,5-diketopiperazines (cyclic dipeptides) can suppress the activity of the important anticancer target…”
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Search for Inhibitors of Mycobacterium tuberculosis Transketolase in a Series of Sulfo-Substituted Compounds by Gushchina, I V, Nilov, D K, Shcherbakova, T A, Baldin, S M, Švedas, V K

“…As a result of the computer screening of a library of sulfo-substituted compounds, molecules capable of binding to the active site of transketolase from were…”
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7-Methylguanine Inhibits Colon Cancer Growth in Vivo by Kirsanov, K I, Fetisov, T I, Antoshina, E E, Gor'kova, T G, Trukhanova, L S, Shram, S I, Nagaev, I Yu, Zolotarev, Yu A, Qoura, L Abo, Pokrovsky, V S, Yakubovskaya, M G, Švedas, V K, Nilov, D K

“…7-Methylguanine (7-MG) is a natural inhibitor of poly(ADP-ribose) polymerase 1 and tRNA-guanine transglycosylase, the enzymatic activity of which is central…”
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Isolation and Biochemical Characterization of Recombinant Transketolase from Mycobacterium tuberculosis by Shcherbakova, T A, Baldin, S M, Shumkov, M S, Gushchina, I V, Nilov, D K, Švedas, V K

“…Transketolase, an enzyme of the pentose phosphate pathway, plays an important role in the functioning of mycobacteria. Using plasmid pET-19b carrying the gene…”
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Study of the Conformational Variety of the Oligosaccharide Substrates of Neuraminidases from Pathogens using Molecular Modeling by Kirilin, E. M., Švedas, V. K.

“…Analysis of the conformational variety of the oligosaccharide fragments of the human glycan receptors LSTa…”
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Mobile Loop in the Active Site of Metallocarboxypeptidases as an Underestimated Determinant of Substrate Specificity by Akparov, V. Kh, Timofeev, V. I., Khaliullin, I. G., Konstantinova, E. G., Kuranova, I. P., Rakitina, T. V., Švedas, V. K.

“…It is generally accepted that the primary specificity of metallocarboxypeptidases is mainly determined by the structure of the so–called primary specificity…”
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Molecular Modeling of the Binding of the Allosteric Inhibitor Optactin at a New Binding Site in Neuraminidase A from Streptococcus pneumoniae by Sharapova, Ya. A., Švedas, V. K.

“…Neuraminidase A (NanA) from the pathogenic bacteria Streptococcus pneumoniae catalyzes the cleavage of terminal sialic acid residues from oligosaccharide…”
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Isolation, Purification and Characterization of L,D-transpeptidase 2 from Mycobacterium tuberculosis by Baldin, S M, Shcherbakova, T A, Švedas, V K

“…, -transpeptidase 2 from plays a key role in the formation of nonclassical 3-3 peptidoglycan cross-links in a pathogen's cell wall making it resistant to a…”
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Quantitative characteristic of the catalytic properties and microstructure of cross-linked enzyme aggregates of penicillin acylase by Pchelintsev, N.A., Youshko, M.I., Švedas, V.K.

“…The microstructure and the catalytic properties of cross-linked enzyme aggregates (CLEA) of penicillin acylase (PA) obtained under different conditions were…”
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Building a Full-Atom Model of L,Dtranspeptidase 2 from Mycobacterium tuberculosis for Screening New Inhibitors by Baldin, S M, Misiura, N M, Švedas, V K

“…L,D-transpeptidase 2 from plays a key role in the formation of the cell wall of a pathogen and catalyzes the cross-linking of growing peptidoglycan chains by…”
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Studying the Possibilities of Using 2-Halogen-Substituted Acetamides As Acyl Donors in Penicillin Acylase-Catalyzed Reactions by Panin, N V, Nikulin, M V, Tiurin, E S, Drobot, V V, Morozova, I A, Švedas, V K

“…The possibility of using amides of halogen-substituted acetic acids as acyl donors in penicillin acylase-catalyzed reactions has been investigated, and the…”
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Search for Human Lactate Dehydrogenase A Inhibitors Using Structure-Based Modeling by Nilov, D K, Prokhorova, E A, Švedas, V K

“…The human lactate dehydrogenase isoform A plays an important role in the anaerobic metabolism of tumour cells and therefore constitutes an attractive target in…”
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