Literatura científica selecionada sobre o tema "Inhibition covalente"
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Artigos de revistas sobre o assunto "Inhibition covalente"
Aljoundi, Aimen, Ahmed El Rashedy, Patrick Appiah-Kubi e Mahmoud E. S. Soliman. "Coupling of HSP72 α-Helix Subdomains by the Unexpected Irreversible Targeting of Lysine-56 over Cysteine-17; Coevolution of Covalent Bonding". Molecules 25, n.º 18 (16 de setembro de 2020): 4239. http://dx.doi.org/10.3390/molecules25184239.
Texto completo da fonteLiu, S. Q., e P. A. Knauf. "Lys-430, site of irreversible inhibition of band 3 Cl- flux by eosin-5-maleimide, is not at the transport site". American Journal of Physiology-Cell Physiology 264, n.º 5 (1 de maio de 1993): C1155—C1164. http://dx.doi.org/10.1152/ajpcell.1993.264.5.c1155.
Texto completo da fonteYang, Jianhong, Yong Li, Wei Yan, Weimin Li, Qiang Qiu, Haoyu Ye e Lijuan Chen. "Covalent modification of Cys-239 in β-tubulin by small molecules as a strategy to promote tubulin heterodimer degradation". Journal of Biological Chemistry 294, n.º 20 (2 de abril de 2019): 8161–70. http://dx.doi.org/10.1074/jbc.ra118.006325.
Texto completo da fonteMaksimenko, A. V., e R. Sh Beabealashvili. "Theoretical Grounding and Formation of Experimental Approaches to Hyaluronidase Structure Consolidation due to Its Computational Interactions with Shortchain Glycosaminoglycan Ligands". Биоорганическая химия 49, n.º 4 (1 de julho de 2023): 369–83. http://dx.doi.org/10.31857/s0132342323020161.
Texto completo da fonteBhatia, Sumeena, Steven C. Almo, Stanley G. Nathenson e Richard J. Hodes. "Dynamic equilibrium of B7-1 dimers and monomers is important for regulation of TCR/CD28 – mediated T cell activation (33.28)". Journal of Immunology 182, n.º 1_Supplement (1 de abril de 2009): 33.28. http://dx.doi.org/10.4049/jimmunol.182.supp.33.28.
Texto completo da fonteKuznetsova, Anastasiya, Philipp Klein e Till Opatz. "Halogenated 2,1,3-benzoxadiazoles as Potential Fluorescent Warheads for Covalent Protease Inhibitors". Proceedings 9, n.º 1 (14 de novembro de 2018): 54. http://dx.doi.org/10.3390/ecsoc-22-05670.
Texto completo da fonteHognon, Cécilia, Marco Marazzi e Cristina García-Iriepa. "Atomistic-Level Description of the Covalent Inhibition of SARS-CoV-2 Papain-like Protease". International Journal of Molecular Sciences 23, n.º 10 (23 de maio de 2022): 5855. http://dx.doi.org/10.3390/ijms23105855.
Texto completo da fonteBisconte, Angelina, Ronald Hill, Michael Bradshaw, Erik Verner, David Finkle, Ken Brameld, Jens Funk, David Goldstein e Phil Nunn. "Efficacy in collagen induced arthritis models with a selective, reversible covalent Bruton’s tyrosine kinase inhibitor PRN473 is driven by durable target occupancy rather than extended plasma exposure (THER5P.904)". Journal of Immunology 194, n.º 1_Supplement (1 de maio de 2015): 139.6. http://dx.doi.org/10.4049/jimmunol.194.supp.139.6.
Texto completo da fonteBeck, Philipp, Christian Dubiella e Michael Groll. "Covalent and non-covalent reversible proteasome inhibition". Biological Chemistry 393, n.º 10 (1 de outubro de 2012): 1101–20. http://dx.doi.org/10.1515/hsz-2012-0212.
Texto completo da fontePiestrzeniewicz, Mariola K., Dorota Wilmańska, Janusz Szemraj, Kazimierz Studzian e Marek Gniazdowski. "Interactions of Novel Morpholine and Hexamethylene Derivatives of Anthracycline Antibiotics with DNA". Zeitschrift für Naturforschung C 59, n.º 9-10 (1 de outubro de 2004): 739–48. http://dx.doi.org/10.1515/znc-2004-9-1020.
Texto completo da fonteTeses / dissertações sobre o assunto "Inhibition covalente"
Fındık, Volkan. "Simulations atomistiques de la réaction d’acétylation d’amines et de l’inhibition covalente de l’enzyme Phosphoinositide 3-kinase (PI3K)". Electronic Thesis or Diss., Université de Lorraine, 2022. http://www.theses.fr/2022LORR0266.
Texto completo da fonteTargeted Covalent Inhibitors (TCIs) hold great promise for search of new drugs. They offer a number of potential advantages over traditional reversible inhibitors, such as extended residence time, increased potency, and the ability to make modifications for effective design. Kinase inhibitors are the most common examples of TCIs. Phosphoinositide 3-kinase (PI3K) enzymes are important drug targets in oncology as they are involved in the signaling pathway for many cellular functions such as growth control, metabolism and translation initiation. Lysine (Lys) residues have gained increasing interest as an alternative for targeted covalent inhibition. Recently, the first selective and irreversible inhibitors with ester groups as electrophilic head targeting the Lys779 residue and covalently inactivating the PI3Kδ enzyme were reported. The main objective of this thesis is to elucidate the mechanism of the covalent inhibition of PI3Kδ by these ester inhibitors in order to assist future design of new inhibitors with superior activities. Prior to the mechanistic studies on the enzyme, initially, we performed ab initio and DFT calculations on the model reaction between methylamine and methyl, phenyl and p-NO2 phenyl acetates in aqueous solution. The same model systems were then studied by the "dual-level" QM/MM molecular dynamics approach. For the “low-level” option, PM3/TIP3P umbrella sampling QM/MM simulations were applied for the sampling. The obtained structures were then used to obtain perturbative corrections to the free energy with a “high-level” QM region at the M06-2X/6-311+G(d,p) level. The results show that thefirst step involves the formation of the zwitterionic tetrahedral intermediate. Then, for sufficiently electrophilic esters, such as the p-NO2 derivative, the reaction proceeds by dissociation of the zwitterion as an ion pair, followed by proton transfer leading to the formation of the expected products. We, then, employed similar computational tools to shed light on the mechanistic aspects of the enzyme. First, an active site model of the enzyme was built through classical molecular dynamics simulations. Then, ONIOM QM:QM approach at the M06-2X/6 -31+G(d,p):PM6 level was applied to get possible reaction mechanisms in this active site. These calculations guided us to refine the reaction mechanisms in enzyme environment which globally confirm the steps obtained from the small model system. We finally used this information to approach a dynamic QM/MM study on the enzyme using the same“dual-level” protocol established for the small model system, which allowed us to obtain the free energy profile of the inhibition mechanism of PI3Kδ for p-NO2 derivative of the ester inhibitor. The calculated barrier is in good agreement with the available experimental kinetic data, which validates the proposed theoretical approach and the obtained mechanisms. Through the elucidation of the inhibition mechanism of previously experimentally tested compounds, our study paves the way for the discovery of new inhibitors with improved activity with the help of theoretical chemistry tools
Akbar, Abdullah. "Design, Synthesis and Evaluation of Covalent Inhibitors for Tissue Transglutaminase and Factor XIIIa". Thesis, Université d'Ottawa / University of Ottawa, 2019. http://hdl.handle.net/10393/39645.
Texto completo da fonteBelghazi, Maya. "Etude de modifications covalentes de protéines par spectrométrie de masse Maldi-Tof et Esi-Tof". Palaiseau, Ecole polytechnique, 2001. http://www.theses.fr/2001EPXX0030.
Texto completo da fonteErdmann, Alexandre. "Conception, synthèse et caractérisation de nouveaux inhibiteurs de méthyltranférases d'ADN à visée anticancéreuse". Thesis, Toulouse 3, 2015. http://www.theses.fr/2015TOU30270.
Texto completo da fonteEpigenetic is defined as the study of heritable changes in the genes expression without altering the DNA sequence. Two main processes are implicated in this field, the histones modifications and the DNA methylation. By introducing an acetyl or a methyl group on the histone tails or by methylation of DNA, the chromatin state is modified and the gene expression is controlled. Aberrant epigenetic modifications are associated with several diseases, in particular with cancer. In cancer cells, the whole DNA is hypomethylated, thus promoting genome instability, while the promoter region is hypermethylated, inducing silencing of these genes. Overall, these observations indicate that DNA methylation is a central epigenetic process in cancerogenesis. Since DNA methylation is reversible, it is possible to target the methylation process in order to reactivate tumor suppressor genes. The DNA methyltransferases (DNMTs), the enzymes responsible for DNA methylation, use the SAM co-factor at specific CpG sites to product 5-methylcytosine. Three main isoforms (DNMT1, DNMT3A and DNMT3B) are described to ensure efficient methylation process during replication. Two families of DNMT inhibitors already exist, the nucleosidiques analogues are cytidine derivatives and are toxic molecules because of their incorporation into DNA, and the non-nucleosidic analogues are less toxic but also less potent. Our strategy of drug design is based on docking study and high throughput screening (HTS) information. First, novel potent derivatives of reference inhibitors are designed from molecular modelling. Then, three different families of compounds from HTS are described with appropriate structure-activity relationship studies. Mechanistic information on DNA methylation process are described through the discovery of a reactive inhibitor of DNMT3A. The study on a family of hydrazone derivatives of gallic acid is depicted and shows its selectivity for DNMT3A, compared to DNMT1, based on docking study. An alternative chemical pathway to diaminopyrimidines is described and extended to the synthesis of quinazolone in order to synthesize new quinazoline derivatives as potent inhibitors of DNMT. Promising informations are described in this thesis to enrich epigenetic knowledge of tumor genesis and to provide new molecules for anticancer therapy
Ueda, Tsuyoshi. "Development of Covalent Inhibitors and Drug Screening using Ligand-Directed NASA Chemistry". Doctoral thesis, Kyoto University, 2020. http://hdl.handle.net/2433/253248.
Texto completo da fonte0048
新制・課程博士
博士(工学)
甲第22412号
工博第4673号
新制||工||1729(附属図書館)
京都大学大学院工学研究科合成・生物化学専攻
(主査)教授 浜地 格, 教授 森 泰生, 教授 生越 友樹
学位規則第4条第1項該当
Doctor of Philosophy (Engineering)
Kyoto University
DGAM
Vermeer, Lydia Maria Mexas. "Covalent modification and inhibition of tyrosine hydroxylase by 3,4-dihydroxyphenylacetaldehyde, an endogenously produced neurotoxin relevant to Parkinson's disease". Diss., University of Iowa, 2012. https://ir.uiowa.edu/etd/1923.
Texto completo da fonteTay, Sew Wah. "Factors affecting the thrombin inhibiting activity of heparin when immobilised to hydrogels by covalent bonding". Thesis, Massachusetts Institute of Technology, 1986. http://hdl.handle.net/1721.1/16490.
Texto completo da fonteMICROFICHE COPY AVAILABLE IN ARCHIVES AND SCIENCE.
Bibliography: leaves 157-166.
by Sew-Wah Tay.
Sc.D.
Bourgeois, Karine. "Towards in vitro Pharmacokinetic Assessment of Novel Targeted Covalent Inhibitors for Human Tissue Transglutaminase". Thesis, Université d'Ottawa / University of Ottawa, 2019. http://hdl.handle.net/10393/39472.
Texto completo da fonteCAMPANER, ELENA. "A new covalent PIN1 inhibitor selectively targets cancer cells by a dual mechanism of action". Doctoral thesis, Università degli Studi di Trieste, 2017. http://hdl.handle.net/11368/2908180.
Texto completo da fonteSerrano, Aparicio Natalia. "Inhibition studies on the human 20S proteasome: molecular insights from a computational approach". Doctoral thesis, Universitat Jaume I, 2022. http://dx.doi.org/10.6035/14122.2022.684242.
Texto completo da fontePrograma de Doctorat en Química Teòrica i Modelització Computacional
Capítulos de livros sobre o assunto "Inhibition covalente"
de Bruin, Gerjan, e Tjeerd Barf. "CHAPTER 4. Covalent Inhibition of Kinases". In Drug Discovery, 61–96. Cambridge: Royal Society of Chemistry, 2018. http://dx.doi.org/10.1039/9781788013093-00061.
Texto completo da fonteMehdi, Shujaath. "COVALENT ENZYME INHIBITION IN DRUG DISCOVERY AND DEVELOPMENT". In Enzyme Technologies, 81–129. Hoboken, NJ: John Wiley & Sons, Inc, 2013. http://dx.doi.org/10.1002/9781118739907.ch3.
Texto completo da fonteAlexander, Patrick, e Andrew G. Stephen. "Affinity Measurement of Non-covalent Interactions of the Covalent KRAS G12C GDP Inhibitor MRTX849 to RAS Isoforms Using Surface Plasmon Resonance". In Methods in Molecular Biology, 103–14. New York, NY: Springer US, 2024. http://dx.doi.org/10.1007/978-1-0716-3822-4_8.
Texto completo da fontePotier, Noelle, Patrick Barth, Denis Tritsch, Jean-François Biellmann e Alain Van Dorsselaer. "Study of Non-Covalent Enzyme-Inhibitor Complexes of Aldose Reductase by Electrospray Mass Spectrometry". In Advances in Experimental Medicine and Biology, 453–54. Boston, MA: Springer US, 1996. http://dx.doi.org/10.1007/978-1-4615-5871-2_51.
Texto completo da fonteCrawford, James J., e Haiming Zhang. "Discovery and Development of Non-Covalent, Reversible Bruton’s Tyrosine Kinase Inhibitor Fenebrutinib (GDC-0853)". In ACS Symposium Series, 239–66. Washington, DC: American Chemical Society, 2019. http://dx.doi.org/10.1021/bk-2019-1332.ch009.
Texto completo da fonteLiedtke, Harald, e Günter Legler. "Splenic Glucocerebrosidase and Its Cytosolic Activator Protein: Effects on Substrate Hydrolysis and Covalent Inhibition by Conduritol B Epoxides". In Lipid Storage Disorders, 353–58. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-1029-7_43.
Texto completo da fonteSurh, Y. J. "Chemopreventative Activity of Chlorophyllin: Inhibition of Mutagenicity and Covalent DNA Binding of Benzo[a]pyrene-7,8-dihydrodiol-9,10-epoxide". In Advances in Experimental Medicine and Biology, 228. Boston, MA: Springer US, 1994. http://dx.doi.org/10.1007/978-1-4899-0939-8_28.
Texto completo da fonteKalgutkar, Amit S., Brenda C. Crews, Scott W. Rowlinson, Carlos Garner e Lawrence J. Marnett. "Discovery of a New Class of Selective Cyclooxygenase-2 (COX-2) Inhibitor that Covalently Modifies the Isozyme". In Advances in Experimental Medicine and Biology, 139–43. Boston, MA: Springer US, 1999. http://dx.doi.org/10.1007/978-1-4615-4793-8_21.
Texto completo da fonteYingsung, Wannarat, Lisheng Zhuo, Masahiko Yoneda, Naoki Ishiguro, Hisashi Iwata e Koji Kimata. "The covalent complex formation of hyaluronan with heavy chains of inter-α-trypsin inhibitor family is important for its functions". In The Many Faces of Osteoarthritis, 207–12. Basel: Birkhäuser Basel, 2002. http://dx.doi.org/10.1007/978-3-0348-8133-3_20.
Texto completo da fonteZeller, Hans-Dieter, e Sandro Ghisla. "Inactivation of general acyl-CoA dehydrogenase from pig k i dney by the suicide substrate methylenecyclopropylacetyl - CoA. Stucture of one of the covalent flavin-inhibitor adducts". In Flavins and Flavoproteins 1987, editado por D. E. Edmondson e D. B. McCormick, 161–64. Berlin, Boston: De Gruyter, 1987. http://dx.doi.org/10.1515/9783110884715-027.
Texto completo da fonteTrabalhos de conferências sobre o assunto "Inhibition covalente"
Santi, Claudio, Luca Sancineto, Francesca Mangiavacchi, Cecilia Scimmi e Sougat Misra. "ELECTROPHILIC ORGANOSELENIUM COMPOUNDS AND SARS-COV-2: PRO-OXIDANT ACTIVITY AS A MORE PROMISING WAY TOWARDS THE DRUGGABILITY". In 1st INTERNATIONAL Conference on Chemo and BioInformatics. Institute for Information Technologies, University of Kragujevac,, 2021. http://dx.doi.org/10.46793/iccbi21.020s.
Texto completo da fonteVenetsanakos, Eleni, Yan Xing, Natalie Loewenstein, J. Michael Bradshaw, Dane Karr, Jacob LaStant, Philip Nunn et al. "Abstract 2091: PRN1371, an irreversible, covalent inhibitor of FGFR1-4 exhibits sustained pathway inhibition in cancer cell lines". In Proceedings: AACR Annual Meeting 2017; April 1-5, 2017; Washington, DC. American Association for Cancer Research, 2017. http://dx.doi.org/10.1158/1538-7445.am2017-2091.
Texto completo da fonteKoneti Rao, A., e Maria A. Kowalska. "ADP-INDUCED CYTOPLASMIC CALCIUM MOBILIZATION AND SHAPE CHANGE IN PLATELETS ARE MEDIATED BY DIFFERENT BINDING SITES". In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1644466.
Texto completo da fonteYue, Zhiwei, Qiang Fu, Nancy Lang e Chunfang Fan. "Liquid Scale Inhibitors for Metallic-Crosslinked Gel Fracturing Systems". In SPE International Oilfield Scale Conference and Exhibition. SPE, 2014. http://dx.doi.org/10.2118/spe-169806-ms.
Texto completo da fonteNiederst, P. N., M. Asbach, M. Ott e R. E. Zimmermann. "IN VITRO REACTION MODELS OF THROMBIN AND ITS PHYSIOLOGICAL INHIBITOR ANTITHROMBIN III IN THE PRESENCE OF HEPARIN". In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1644356.
Texto completo da fontePoddutoori, Ramulu, Leena K. Satyam, Girish Daginakatte, Subhendu Mukherjee, Sivapriya Marappan, Sreevalsam Gopinath, Raghuveer Ramachandra et al. "Abstract C190: Potent and selective inhibition of CDK7 by novel covalent inhibitors". In Abstracts: AACR-NCI-EORTC International Conference: Molecular Targets and Cancer Therapeutics; November 5-9, 2015; Boston, MA. American Association for Cancer Research, 2015. http://dx.doi.org/10.1158/1535-7163.targ-15-c190.
Texto completo da fonteSatyam, Leena Khare, Ramulu Poddutoori, Subhendu Mukherjee, Sivapriya Marappan, Sreevalsam Gopinath, Raghuveer Ramachandra, Manoj Kumar Pothuganti et al. "Abstract 3070: Potent and selective inhibition of CDK7 by novel covalent inhibitors". In Proceedings: AACR 107th Annual Meeting 2016; April 16-20, 2016; New Orleans, LA. American Association for Cancer Research, 2016. http://dx.doi.org/10.1158/1538-7445.am2016-3070.
Texto completo da fonteSimone, E. R., T. A. Davies, N. A. Zabe, S. M. Greenberg-seperaky e N. E. Larsen. "EARLY PLATELET-THROMBIN RECEPTORS AND THEIR FUNCTIONS". In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1643730.
Texto completo da fonteKosmachevskaya, Olga, Elvira Nasybullina, Konstantin Shumaev e Alexey Topunov. "HEMOGLOBIN-BOUND DYNITROSIL IRON COMPLEXES PROTECT IT FROM OXIDATIVE MODIFICATION". In NEW TECHNOLOGIES IN MEDICINE, BIOLOGY, PHARMACOLOGY AND ECOLOGY. Institute of information technology, 2021. http://dx.doi.org/10.47501/978-5-6044060-1-4.51.
Texto completo da fonteGuo, Zipeng, Ruizhe Yang, Jun Liu, Jason Armstrong, Ruogang Zhao e Chi Zhou. "Continuous Stereolithography 3D Printing of Multi-Network Hydrogels in Triply Periodic Minimal Structures (TPMS) With Tunable Mechanical Strength for Energy Absorption". In ASME 2022 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/imece2022-95806.
Texto completo da fonte