Zobrazeno 1 - 10
of 41
pro vyhledávání: '"MESH : Molecular Docking Simulation"'
Autor:
Ritwik Maity, Uwe Mamat, Ernesto Anoz-Carbonell, Javier Sancho, Eliette Touati, Sandra Salillas, María Conde-Giménez, Alejandro Mahía, María D. Díaz-de-Villegas, José A. Gálvez, José A. Aínsa, Ulrich E. Schaible, Adrián Velázquez-Campoy, Freddy Haesebrouck, Juan J. Galano-Frutos, Helena Berlamont
Publikováno v:
International Journal of Molecular Sciences, Vol 22, Iss 10137, p 10137 (2021)
International Journal of Molecular Sciences
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
Digital.CSIC. Repositorio Institucional del CSIC
instname
International Journal of Molecular Sciences, 2021, 22 (18), pp.10137. ⟨10.3390/ijms221810137⟩
Volume 22
Issue 18
International Journal of Molecular Sciences
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
Digital.CSIC. Repositorio Institucional del CSIC
instname
International Journal of Molecular Sciences, 2021, 22 (18), pp.10137. ⟨10.3390/ijms221810137⟩
Volume 22
Issue 18
This article belongs to the Special Issue Antimicrobial Resistance, Molecular Mechanisms and Fight Strategies.
Antimicrobial resistant (AMR) bacteria constitute a global health concern. Helicobacter pylori is a Gram-negative bacterium that infec
Antimicrobial resistant (AMR) bacteria constitute a global health concern. Helicobacter pylori is a Gram-negative bacterium that infec
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⟩
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
Autor:
Rym ElFessi, Oussema Khamessi, Najet Srairi-Abid, Jean-Marc Sabatier, Jan Tytgat, Steve Peigneur, Riadh Kharrat
Publikováno v:
Molecules
Molecules, 2022, 27 (21), pp.7278. ⟨10.3390/molecules27217278⟩
Molecules; Volume 27; Issue 21; Pages: 7278
Molecules, 2022, 27 (21), pp.7278. ⟨10.3390/molecules27217278⟩
Molecules; Volume 27; Issue 21; Pages: 7278
Scorpion venom is a rich source of promising therapeutic compounds, such as highly selective ion channel ligands with potent pharmacological effects. Bot33 is a new short polypeptide of 38 amino acid residues with six cysteines purified from the veno
Autor:
Fei Ding, Xiaolong Li, Xianran He, Shaolei Li, Dan Wen, Zhongtang Li, Yuchen Lei, Yongmin Zhang, Yiyan Li, Yangguang Gao, Min Zhong
Publikováno v:
European Journal of Medicinal Chemistry
European Journal of Medicinal Chemistry, Elsevier, 2020, 208, pp.112864. ⟨10.1016/j.ejmech.2020.112864⟩
European Journal of Medicinal Chemistry, Elsevier, 2020, 208, pp.112864. ⟨10.1016/j.ejmech.2020.112864⟩
International audience; A series of organoselenium compounds based on the hybridization of nonsteroidal antiinflammatory drugs (NSAIDs) scaffolds and Se functionalities (-SeCN and -SeCF3) were synthesized and characterized, and evaluated against four
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5190dbe10ff326f4ff4ae0c766ff7dd
https://hal.sorbonne-universite.fr/hal-03240011/document
https://hal.sorbonne-universite.fr/hal-03240011/document
Autor:
Tyler N. Starr, Sarah K Hilton, Mary Jane Navarro, John E. Bowen, Jesse D. Bloom, M. Alejandra Tortorici, Neil P. King, David Veesler, Daniel Ellis, Alexandra C. Walls, Allison J. Greaney, Katharine H.D. Crawford, Adam S. Dingens
Publikováno v:
Cell
Cell, Elsevier, 2020, 182 (5), pp.1295-1310.e20. ⟨10.1016/j.cell.2020.08.012⟩
Cell, Elsevier, 2020, 182 (5), pp.1295-1310.e20. ⟨10.1016/j.cell.2020.08.012⟩
International audience; The receptor binding domain (RBD) of the SARS-CoV-2 spike glycoprotein mediates viral attachment to ACE2 receptor and is a major determinant of host range and a dominant target of neutralizing antibodies. Here, we experimental
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e5c27c7d9c29520227bf651f416e7a83
https://hal-pasteur.archives-ouvertes.fr/pasteur-02984797
https://hal-pasteur.archives-ouvertes.fr/pasteur-02984797
Publikováno v:
Journal of Food Science
Journal of Food Science, Wiley, 2020, 85 (4), pp.1353-1360. ⟨10.1111/1750-3841.15106⟩
Journal of Food Science, 2020, 85 (4), pp.1353-1360. ⟨10.1111/1750-3841.15106⟩
Journal of Food Science, Wiley, 2020, 85 (4), pp.1353-1360. ⟨10.1111/1750-3841.15106⟩
Journal of Food Science, 2020, 85 (4), pp.1353-1360. ⟨10.1111/1750-3841.15106⟩
International audience; Here, molecular docking simulation was used to predict and compare interactions between a recombinant Trametes sp. C30 laccase from Saccharomyces cerevisiae and four aflatoxins (AFB1 , AFB2 , AFG1 , and AFG2 ) as well as their
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::4298122f6b9bfb078801da529e9846d9
https://hal.archives-ouvertes.fr/hal-03121524/document
https://hal.archives-ouvertes.fr/hal-03121524/document
Autor:
Andrew G. Watts, A. Carlos Frasch, Ricardo Resende, Jean M. H. van den Elsen, Susan J. Crennell, Patricia Marcé, Pedro M. Alzari, Zexin Chen
Publikováno v:
European Journal of Medicinal Chemistry
European Journal of Medicinal Chemistry, Elsevier, 2018, 158, pp.25-33. ⟨10.1016/j.ejmech.2018.08.089⟩
Chen, Z, Marce Villa, P, Resende, R, Alzari, P M, Frasch, A C, Van Den Elsen, J, Crennell, S & Watts, A 2018, ' The synthesis and kinetic evaluation of aryl α-aminophosphonates as novel inhibitors of T. cruzi trans-sialidase ', European Journal of Medicinal Chemistry, vol. 158, pp. 25-33 . https://doi.org/10.1016/j.ejmech.2018.08.089
European Journal of Medicinal Chemistry, 2018, 158, pp.25-33. ⟨10.1016/j.ejmech.2018.08.089⟩
European Journal of Medicinal Chemistry, Elsevier, 2018, 158, pp.25-33. ⟨10.1016/j.ejmech.2018.08.089⟩
Chen, Z, Marce Villa, P, Resende, R, Alzari, P M, Frasch, A C, Van Den Elsen, J, Crennell, S & Watts, A 2018, ' The synthesis and kinetic evaluation of aryl α-aminophosphonates as novel inhibitors of T. cruzi trans-sialidase ', European Journal of Medicinal Chemistry, vol. 158, pp. 25-33 . https://doi.org/10.1016/j.ejmech.2018.08.089
European Journal of Medicinal Chemistry, 2018, 158, pp.25-33. ⟨10.1016/j.ejmech.2018.08.089⟩
The trans-sialidase protein expressed by Trypanosoma cruzi is an important enzyme in the life cycle of this human pathogenic parasite and is considered a promising target for the development of new drug treatments against Chagas' disease. Here we des
Autor:
Rym Benkhalifa, Hager Tabka, Saïd Bendahhou, Sonia Maatoug, Jean-Marie Guigonis, Sylvie Diochot, Zied Landoulsi, Amani Cheikh, Oussema Khamessi
Publikováno v:
International Journal of Molecular Sciences
Volume 22
Issue 22
International Journal of Molecular Sciences, Vol 22, Iss 12290, p 12290 (2021)
International Journal of Molecular Sciences, 2021, 22 (22), pp.12290. ⟨10.3390/ijms222212290⟩
International Journal of Molecular Sciences, MDPI, 2021, 22 (22), pp.12290. ⟨10.3390/ijms222212290⟩
Volume 22
Issue 22
International Journal of Molecular Sciences, Vol 22, Iss 12290, p 12290 (2021)
International Journal of Molecular Sciences, 2021, 22 (22), pp.12290. ⟨10.3390/ijms222212290⟩
International Journal of Molecular Sciences, MDPI, 2021, 22 (22), pp.12290. ⟨10.3390/ijms222212290⟩
International audience; The voltage-gated K+ channels Kv3.1 display fast activation and deactivation kinetics and are known to have a crucial contribution to the fast-spiking phenotype of certain neurons. AahG50, as a natural product extracted from A
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⟩
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
https://hal.science/hal-02999300/document
Autor:
Malgorzata N. Drwal, Esther Kellenberger, Célien Jacquemard, Didier Rognan, Viet-Khoa Tran-Nguyen
Publikováno v:
Molecules
Molecules, MDPI, 2019, 24 (14), ⟨10.3390/molecules24142610⟩
Volume 24
Issue 14
Molecules, MDPI, 2019, 24 (14), pp.2610. ⟨10.3390/molecules24142610⟩
Molecules, Vol 24, Iss 14, p 2610 (2019)
Molecules, MDPI, 2019, 24 (14), ⟨10.3390/molecules24142610⟩
Volume 24
Issue 14
Molecules, MDPI, 2019, 24 (14), pp.2610. ⟨10.3390/molecules24142610⟩
Molecules, Vol 24, Iss 14, p 2610 (2019)
International audience; Ligand docking at a protein site can be improved by prioritizing poses by similarity to validated binding modes found in the crystal structures of ligand/protein complexes. The interactions formed in the predicted model are se
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::31350f57acaac8fb4ee937e1455cf123
https://hal.archives-ouvertes.fr/hal-03021606
https://hal.archives-ouvertes.fr/hal-03021606