Výsledky vyhledávání - "MESH : Structure-Activity Relationship"

Shedding X-ray Light on the Role of Magnesium in the Activity of Mycobacterium tuberculosis Salicylate Synthase (MbtI) for Drug Design

Autor: Arianna Gelain, Fiorella Meneghetti, Josè Camilla Sammartino, Giulio Poli, Elena Pini, Stefania Villa, Laurent R. Chiarelli, Marco Bellinzoni, Giovanni Stelitano, Alessio Porta, Giangiacomo Beretta, Tiziano Tuccinardi, M. Mori

Publikováno v: Journal of Medicinal Chemistry
Journal of Medicinal Chemistry, American Chemical Society, 2020, 63 (13), pp.7066-7080. ⟨10.1021/acs.jmedchem.0c00373⟩
Journal of Medicinal Chemistry, 2020, 63 (13), pp.7066-7080. ⟨10.1021/acs.jmedchem.0c00373⟩

International audience; The Mg2+-dependent Mycobacterium tuberculosis salicylate synthase (MbtI) is a key enzyme involved in the biosynthesis of siderophores. Because iron is essential for the survival and pathogenicity of the microorganism, this pro

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cdd21aa15a35076028ef01cd6ec1319a
http://europepmc.org/articles/PMC8008425

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Fragment-Based Phenotypic Lead Discovery To Identify New Drug Seeds That Target Infectious Diseases

Autor: Paul Ogadinma, Yann Ayotte, Laurent Chatel-Chaix, François Bilodeau, Marthe Lebughe, Mena Cimino, Giulia Manina, Aïssatou Aïcha Sow, Frédéric J. Veyrier, Albert Descoteaux, Eve Bernet, Dominic Gagnon, Sarah-Lisa Ouali, Maxime Mistretta, Dave Richard, Steven R. LaPlante

Publikováno v: ACS Chemical Biology
ACS Chemical Biology, 2021, 16 (11), pp.2158-2163. ⟨10.1021/acschembio.1c00657⟩

International audience; Fragment-based lead discovery has emerged over the last decades as one of the most powerful techniques for identifying starting chemical matter to target specific proteins or nucleic acids in vitro. However, the use of such lo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::520f95ea52cd1b9e6547f5e3c06e7b81
https://pubmed.ncbi.nlm.nih.gov/34699722

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Mutational analysis to explore long-range allosteric couplings involved in a pentameric channel receptor pre-activation and activation

Autor: Solène N Lefebvre, Pierre-Jean Corringer, Anaïs Menny, Antoine Taly, Karima Medjebeur

Publikováno v: eLife, Vol 10 (2021)
eLife
eLife, eLife Sciences Publication, 2021, 10, pp.e60682. ⟨10.7554/eLife.60682⟩
eLife, 2021, 10, pp.e60682. ⟨10.7554/eLife.60682⟩

International audience; Pentameric ligand-gated ion channels (pLGICs) mediate chemical signaling through a succession of allosteric transitions that are yet not completely understood as intermediate states remain poorly characterized by structural ap

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::226565cb81259d6cb3cf4d4ff33e676f
https://elifesciences.org/articles/60682

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Focus on DNA Glycosylases—A Set of Tightly Regulated Enzymes with a High Potential as Anticancer Drug Targets

Autor: Chandini Bhaskar Naidu, Joanna Timmins, Fabienne Hans, Muge Senarisoy

Publikováno v: International Journal of Molecular Sciences, Vol 21, Iss 9226, p 9226 (2020)
International Journal of Molecular Sciences
International Journal of Molecular Sciences, MDPI, 2020, 21 (23), pp.9226. ⟨10.3390/ijms21239226⟩
International Journal of Molecular Sciences, 2020, 21 (23), pp.9226. ⟨10.3390/ijms21239226⟩

International audience; Cancer is the second leading cause of death with tens of millions of people diagnosed with cancer every year around the world. Most radio- and chemotherapies aim to eliminate cancer cells, notably by causing severe damage to t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b6ab3aa7711b687ca486c60dd62a3c6
https://www.mdpi.com/1422-0067/21/23/9226

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Design, synthesis, and biological evaluation of dual targeting inhibitors of histone deacetylase 6/8 and bromodomain BRPF1

Autor: Manfred Jung, Karin Schmidtkunz, Elizabeth R Morales, Stefan Günther, Wolfgang Sippl, Martin Hügle, Frank Erdmann, Patrik Zeyen, Ehab Ghazy, Dina Robaa, Christophe Romier, Matthias Schmidt, Daniel Herp

Publikováno v: European Journal of Medicinal Chemistry
European Journal of Medicinal Chemistry, 2020, 200, pp.112338. ⟨10.1016/j.ejmech.2020.112338⟩
European Journal of Medicinal Chemistry, Elsevier, 2020, 200, pp.112338. ⟨10.1016/j.ejmech.2020.112338⟩

International audience; Histone modifying proteins, specifically histone deacetylases (HDACs) and bromodomains, have emerged as novel promising targets for anticancer therapy. In the current work, based on available crystal structures and docking stu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::738621ff6d5b1624d9660f91e10c4ab7
https://hal.science/hal-02999300/document

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Breakthroughs in medicinal chemistry: new targets and mechanisms, new drugs, new hopes-7

Autor: Gütschow, Michael, Eynde, Jean Jacques Vanden, Jampilek, Josef, Kang, CongBao, Mangoni, Arduino, Fossa, Paola, Karaman, Rafik, Trabocchi, Andrea, Scott, Peter, Reynisson, Jóhannes, Rapposelli, Simona, Galdiero, Stefania, Winum, Jean-Yves, Brullo, Chiara, Prokai-Tatrai, Katalin, Sharma, Arun, Schapira, Matthieu, Azuma, Yasu-Taka, Cerchia, Laura, Spetea, Mariana, Torri, Giangiacomo, Collina, Simona, Geronikaki, Athina, García-Sosa, Alfonso, Vasconcelos, M Helena, Sousa, Maria Emília, Kosalec, Ivan, Tuccinardi, Tiziano, Duarte, Iola, Salvador, Jorge, Bertinaria, Massimo, Pellecchia, Maurizio, Amato, Jussara, Rastelli, Giulio, Gomes, Paula, Guedes, Rita, Sabatier, Jean-Marc, Estévez-Braun, Ana, Pagano, Bruno, Mangani, Stefano, Ragno, Rino, Kokotos, George, Brindisi, Margherita, González, Florenci, Borges, Fernanda, Miloso, Mariarosaria, Rautio, Jarkko, Muñoz-Torrero, Diego, Vanden Eynde, Jean Jacques, Vasconcelos, M. Helena

Publikováno v: Molecules
Molecules, MDPI, 2020, 25 (13), pp.2968. ⟨10.3390/molecules25132968⟩
Molecules, Vol 25, Iss 2968, p 2968 (2020)
Dipòsit Digital de la UB
Universidad de Barcelona
Molecules (Basel, Online) 25 (2020). doi:10.3390/molecules25132968
info:cnr-pdr/source/autori:Gutschow M.; Eynde J.J.V.; Jampilek J.; Kang C.; Mangoni A.A.; Fossa P.; Karaman R.; Trabocchi A.; Scott P.J.H.; Reynisson J.; Rapposelli S.; Galdier S.; Winum J.-Y.; Brullo C.; Prokai-Tatrai K.; Sharma A.K.; Schapira M.; Azuma Y.-T.; Cerchia L.; Spete M.; Torri G.; Collina S.; Geronikaki A.; Garcia-Sosa A.T.; Helena Vasconcelos M.; Sousa M.E.; Kosalec I.; Tuccinardi T.; Duarte I.F.; Salvador J.A.R.; Bertinaria M.; Pellecchia M.; Amato J.; Rastelli G.; Gomes P.A.C.; Guedes R.C.; Sabatier J.-M.; Estevez-Braun A.; Pagano B.; Mangani S.; Ragno R.; Kokotos G.; Brindisi M.; Gonzalez F.V.; Borges F.; Miloso M.; Rautio J.; Munoz-Torrero D./titolo:Breakthroughs in medicinal chemistry: New targets and mechanisms, new drugs, new hopes-7/doi:10.3390%2Fmolecules25132968/rivista:Molecules (Basel, Online)/anno:2020/pagina_da:/pagina_a:/intervallo_pagine:/volume:25
Molecules, 2020, 25 (13), pp.2968. ⟨10.3390/molecules25132968⟩
Repositori Universitat Jaume I
Universitat Jaume I

Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes is a series of editorials which is published on a biannual basis by the Editorial Board of the Medicinal Chemistry section of the journal Molecules. In these edito

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e417a8ae7bdaece7cdb0a324d6fe2a63
http://hdl.handle.net/11573/1511684

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Cell Biology of T Cell Receptor Expression and Regulation

Autor: Balbino Alarcón, Andrés Alcover, Vincenzo Di Bartolo

Publikováno v: Annual Review of Immunology
Annual Review of Immunology, Annual Reviews, 2018, 36 (1), pp.103-125. ⟨10.1146/annurev-immunol-042617-053429⟩
Annual Review of Immunology, 2018, 36 (1), pp.103-125. ⟨10.1146/annurev-immunol-042617-053429⟩

International audience; T cell receptors (TCRs) are protein complexes formed by six different polypeptides. In most T cells, TCRs are composed of αβ subunits displaying immunoglobulin-like variable domains that recognize peptide antigens associated

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3fc13929d7a63df4f74bec33f2c3fee8
https://doi.org/10.1146/annurev-immunol-042617-053429

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Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors

Autor: Wentao Li, Alexandra C. Walls, M. Alejandra Tortorici, Z. Wang, Maximilian M. Sauer, Young-Jun Park, Frank DiMaio, David Veesler, Berend Jan Bosch

Publikováno v: Nature Structural and Molecular Biology
Nature Structural and Molecular Biology, Nature Publishing Group, 2019, 26 (12), pp.1151-1157. ⟨10.1038/s41594-019-0334-7⟩
Nature Structural and Molecular Biology, 26(12), 1151. Nature Publishing Group
Nature Structural and Molecular Biology, 2019, 26 (12), pp.1151-1157. ⟨10.1038/s41594-019-0334-7⟩
Nature Structural & Molecular Biology

The Middle East respiratory syndrome coronavirus (MERS-CoV) causes severe and often lethal respiratory illness in humans, and no vaccines or specific treatments are available. Infections are initiated via binding of the MERS-CoV spike (S) glycoprotei

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9632f9b7fea1d3a3afea62860df826ec
https://hal-pasteur.archives-ouvertes.fr/pasteur-02546517

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Paclitaxel Response Can Be Predicted With Interpretable Multi-Variate Classifiers Exploiting DNA-Methylation and miRNA Data

Autor: Borazjani, Nassim, Sepehri, Saghi, Behzadi, Maryam, Jarrahpour, Aliasghar, Rad, Javad Ameri, Sasanipour, Maryam, Mohkam, Milad, Ghasemi, Younes, Akbarizadeh, Amin Reza, Digiorgio, Carole, Brunel, Jean Michel, Ghanbari, Mohammad Mehdi, Batta, Gyula, Turos, Edward

Publikováno v: Frontiers in Genetics
Frontiers in Genetics, Frontiers, 2019, 10, pp.1041. ⟨10.3389/fgene.2019.01041⟩
Frontiers in Genetics, 2019, 10, pp.1041. ⟨10.3389/fgene.2019.01041⟩
Frontiers in Genetics, Vol 10 (2019)

International audience; To address the problem of resistance to paclitaxel treatment, we have investigated to which extent is possible to predict Breast Cancer (BC) patient response to this drug. We carried out a large-scale tumor-based prediction an

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d81701868d5035783524f1a17bb0f68
https://hal.archives-ouvertes.fr/hal-02511536

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Structure, regulation, and (patho-)physiological functions of the stress-induced protein kinase CK1 delta (CSNK1D)

Autor: Joachim Bischof, Timo Burster, Pengfei Xu, Fabian Gärtner, Congxing Liu, Vasiliy A. Bakulev, Uwe Knippschild, Najma Rachidi, Chiara Ianes

Publikováno v: Gene
Gene, 2019, 715, pp.144005. ⟨10.1016/j.gene.2019.144005⟩
Gene, Elsevier, 2019, 715, pp.144005. ⟨10.1016/j.gene.2019.144005⟩

International audience; Members of the highly conserved pleiotropic CK1 family of serine/threonine-specific kinases are tightly regulated in the cell and play crucial regulatory roles in multiple cellular processes from protozoa to human. Since their

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b55c9cdedeeafee4a833888ef22f8936
https://hal-pasteur.archives-ouvertes.fr/pasteur-02874586

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