Moscow University Chemistry Bulletin最新文献_第5页

Protein Engineering of Bst Polymerase for Isothermal Amplification Purposes 用于等温扩增目的的 Bst 聚合酶蛋白质工程

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-06-04 DOI: 10.3103/S002713142470007X

A. S. Cherkashina, O. O. Mikheeva, V. G. Akimkin

引用次数: 0

High Throughput Screening in Drug Discovery: Problems and Solutions 药物发现中的高通量筛选：问题与解决方案

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-06-04 DOI: 10.3103/S0027131424700081

D. M. Hushpulian, I. N. Gaisina, S. V. Nikulin, T. A. Chubar, S. S. Savin, I. G. Gazaryan, V. I. Tishkov

{"title":"High Throughput Screening in Drug Discovery: Problems and Solutions","authors":"D. M. Hushpulian, I. N. Gaisina, S. V. Nikulin, T. A. Chubar, S. S. Savin, I. G. Gazaryan, V. I. Tishkov","doi":"10.3103/S0027131424700081","DOIUrl":"10.3103/S0027131424700081","url":null,"abstract":"World-wide introduction of high throughput screening (HTS) methods in drug discovery research did not result in the increased number of novel medications on the market. We discuss novel trends in drug discovery that came from the understanding that majority of diseases are multifactorial and that one enzyme has many protein substrates. Hence, new approaches are focused on development of drugs, which (1) trigger survival pathways to return the organism to homeostatic balance, and (2) inhibit enzymes modifying histones or transcription factors not at the active site, but by displacement of protein substrates from the enzyme complexes. A good example for both approaches comes from the development of activators of antioxidant defense. We analyze and illustrate problems of commonly used in vitro HTS assays, and briefly discuss advantages and limitations of small animal models. The novel approaches are complementary to the standard HTS and do not substitute for testing in mammals. Development of transgenic reporter mice to monitor drug effects by means of in vivo imaging is extremely promising to select proper dosage and administration regimes for full-range PK studies.","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 2","pages":"93 - 104"},"PeriodicalIF":0.7,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141548877","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}

引用次数: 0

Computer Modeling of the Mechanisms of Enzymatic Reactions: Lessons from 20 Years of Practice 酶促反应机理的计算机建模：20 年实践的经验教训

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-06-04 DOI: 10.3103/S0027131424700093

M. G. Khrenova, T. I. Mulashkina, A. M. Kulakova, I. V. Polyakov, A. V. Nemukhin

引用次数: 0

Methylation of Coproporphyrin as a Protective Mechanism in Mycobacteria under Adverse Conditions 卟啉的甲基化是分枝杆菌在不利条件下的一种保护机制

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-06-04 DOI: 10.3103/S0027131424700068

D. I. Bagaeva, G. R. Demina, M. O. Agaphonov, A. P. Savitsky, A. S. Kaprelyants, M. O. Shleeva

{"title":"Methylation of Coproporphyrin as a Protective Mechanism in Mycobacteria under Adverse Conditions","authors":"D. I. Bagaeva, G. R. Demina, M. O. Agaphonov, A. P. Savitsky, A. S. Kaprelyants, M. O. Shleeva","doi":"10.3103/S0027131424700068","DOIUrl":"10.3103/S0027131424700068","url":null,"abstract":"The transition of active Mycolicibacterium smegmatis cells to a dormant state under acidification conditions is accompanied by the intracellular accumulation of tetramethyl ester of coproporphyrin (TMC). At the same time, the dormant forms of mycobacteria develop resistance to a number of damaging factors. The addition of 5-aminolevulinic acid (ALA), a precursor of porphyrin synthesis, into the bacterial culture medium leads to the accumulation of TMC in actively growing cells, which simulates the situation with dormant mycobacteria. Upon threefold increasing the concentration of TMC, the bacteria become sevenfold more resistant to the action of 40 mM hydrogen peroxide and 90-fold more resistant to heating up to 80°C. At the same time, in M. smegmatis cells with an increased concentration of TMC, the activity of dichlorophenolindophenol reductase that is a marker of respiratory chain activity decreases by 18%. The detected inhibition of activity can lead to a decrease in side oxidative reactions in the cell. Therefore, the accumulation of methylated coproporphyrin is possibly one of the mechanisms for the development of mycobacterium resistance at dormancy.","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 2","pages":"110 - 114"},"PeriodicalIF":0.7,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141548876","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}

引用次数: 0

Modern Methods of Aptamer Chemical Modification and Principles of Aptamer Library Selection 色素化学修饰的现代方法和色素库选择原则

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-06-04 DOI: 10.3103/S002713142470010X

M. F. Subach, M. G. Khrenova, M. I. Zvereva

引用次数: 0

Post-Translational Modifications of the Sulfhydryl Group of the Cysteine Residue of Glyceraldehyde-3-phosphate Dehydrogenase 甘油醛-3-磷酸脱氢酶半胱氨酸残基巯基的翻译后修饰

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-06-04 DOI: 10.3103/S0027131424700056

V. I. Muronetz, M. V. Medvedeva, E. V. Schmalhausen

{"title":"Post-Translational Modifications of the Sulfhydryl Group of the Cysteine Residue of Glyceraldehyde-3-phosphate Dehydrogenase","authors":"V. I. Muronetz, M. V. Medvedeva, E. V. Schmalhausen","doi":"10.3103/S0027131424700056","DOIUrl":"10.3103/S0027131424700056","url":null,"abstract":"The main types of oxidative post-translational modifications of the glycolytic enzyme glyceraldehyde-3-phosphate dehydrogenase (GAPDН) targeting the sulfhydryl group of the catalytic cysteine residue Cys152 are reviewed. The highly reactive sulfhydryl group of Cys152 in the active center of GAPDH undergoes oxidation and S-nitrosylation, leading to inactivation and destabilization of the enzyme. Upon reversible oxidation of the sulfhydryl group to form cysteine-sulfenic acid, the enzyme loses dehydrogenase activity, but gains the ability to catalyze the acyl-phosphatase reaction. Hydrolysis of the product of the dehydrogenase reaction, 1,3-diphosphoglycerate, under the action of oxidized GAPDH leads to uncoupling of oxidation and phosphorylation at this stage of glycolysis. The action of nitric oxide results in S-nitrosylation of Cys152 in GAPDH with the subsequent formation of cysteine-sulfenic acid due to hydrolysis of the S-NO-group. Data are presented on the relationship between S-nitrosylation, oxidation and S-glutathionylation of Cys152 in GAPDH. The role of post-translational modifications of the sulfhydryl group of the catalytic cysteine residue in the regulation of enzyme activity, as well as the mechanisms ensuring the reversibility of such modifications are discussed.","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 2","pages":"115 - 120"},"PeriodicalIF":0.7,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141548874","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}

引用次数: 0

Comparative Analysis of the Capabilities of Spectral Methods in Studying the Internal Rotation of Compounds of the Benzoic Series 光谱法研究苯甲酸系列化合物内旋能力的比较分析

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-04-02 DOI: 10.3103/S002713142401005X

L. A. Koroleva, A. V. Koroleva

{"title":"Comparative Analysis of the Capabilities of Spectral Methods in Studying the Internal Rotation of Compounds of the Benzoic Series","authors":"L. A. Koroleva, A. V. Koroleva","doi":"10.3103/S002713142401005X","DOIUrl":"10.3103/S002713142401005X","url":null,"abstract":"In this review the methods used to study internal rotation (IR) in the ground (S0) and excited (S1) electronic states for compounds of the benzoic series C6H5–COR, where R = H, F, and CI, are compared. In the (S0) electronic state, differences in the values of (0–v) transitions of the torsional vibration for the studied compounds are revealed in the methods of analysis of the vibrational structure of the n–π* transition of high-resolution UV absorption spectra and Fourier-transform IR spectra. The reasons for such differences are established. In the excited (S1) state for benzaldehyde, the method of analyzing the vibrational structure of the n–π* transition of high-resolution UV absorption spectra and the method of analyzing the excitation spectra of the sensitized phosphorescence of this compound in a cooled jet are compared. It is concluded that the method of analyzing the vibrational structure of the n–π* transition of the high-resolution UV absorption spectra of vapors of the investigated compounds is more reliable and accurate when studying the IR in both electronic states.","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 1","pages":"1 - 13"},"PeriodicalIF":0.7,"publicationDate":"2024-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140576169","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}

引用次数: 0

Solubility Study of Amlodipine Besylate in Ethylene Glycol + 2-Propanol Mixtures at Different Temperatures 不同温度下苯磺酸氨氯地平在乙二醇和 2-丙醇混合物中的溶解度研究

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-04-02 DOI: 10.3103/S0027131424010048

Homa Rezaei, Kader Poturcu, Abolghasem Jouyban, Hongkun Zhao, Elaheh Rahimpour

引用次数: 0

Simultaneous Determination of Chlorhexidine, p-Chloroaniline, Triclosan, Dibutyl Phthalate, and Ionol in an Antibacterial Liquid by HPLC with Spectrophotometric Detection 利用高效液相色谱法和分光光度法同时测定抗菌液中的洗必泰、对氯苯胺、三氯生、邻苯二甲酸二丁酯和离子醇

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-04-02 DOI: 10.3103/S0027131424010073

A. V. Pirogov, S. M. Staroverov

引用次数: 0

Modelling Silver Cluster Complexes with the Antibacterial Medication Dioxidine 银簇与抗菌药物二氧六环的复合物建模

IF 0.7

Moscow University Chemistry Bulletin Pub Date : 2024-04-02 DOI: 10.3103/S0027131424010115

A. V. Soloviev, A. Yu. Ermilov, Yu. N. Morosov, T. I. Shabatina

{"title":"Modelling Silver Cluster Complexes with the Antibacterial Medication Dioxidine","authors":"A. V. Soloviev, A. Yu. Ermilov, Yu. N. Morosov, T. I. Shabatina","doi":"10.3103/S0027131424010115","DOIUrl":"10.3103/S0027131424010115","url":null,"abstract":"The structures of small silver clusters (Agn, n = 1–3, 13) and their complexes with molecules of the antibacterial drug 2,3-bis-(hydroxymethyl)quinoxaline-N,N′-dioxide–dioxidine (Dx) are calculated using the electron density functional method in the DFT/B3LYP5 version. The features of the geometric structure and energy of the metal cluster–dioxidine ligand interaction are considered depending on the size (nuclearity) of the metal cluster. For small clusters (n = 1–3), a tendency for the metal to be coordinated to only one of the oxygen atoms of the ligand molecule is revealed. The most stable complexes are the silver trimers Dx–Ag3 and the icosahedral silver cluster Dx–Ag13, which are coordinated simultaneously with two oxygen atoms of the hydroxyl groups of the dioxidine molecule. The difference between the obtained optimized structures of the silver–dioxidine complexes and the previously studied silver complexes with hydroxide ligands, for which the hydrogen atom of the ligand hydroxyl group is displaced during the interaction, is shown.","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 1","pages":"21 - 26"},"PeriodicalIF":0.7,"publicationDate":"2024-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140602647","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}

引用次数: 0