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1Academic JournalCombining de novo molecular design with semiempirical protein–ligand binding free energy calculation
المؤلفون: Iff, Michael, Atz, Kenneth, id_orcid:0 000-0002-2628-1619, Isert, Clemens, id_orcid:0 000-0002-4176-7887, Pachon-Angona, Irene, Cotos, Leandro, Hilleke, Mattis, Hiss, Jan A., Schneider, Gisbert, id_orcid:0 000-0001-6706-1084
المصدر: RSC Advances, 14 (50)
وصف الملف: application/application/pdf
Relation: info:eu-repo/semantics/altIdentifier/wos/001358687900001; info:eu-repo/grantAgreement/SNF/Projekte MINT/182176; info:eu-repo/grantAgreement/SNF/Sinergia/202245; http://hdl.handle.net/20.500.11850/708165
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2Academic Journal
المؤلفون: Pachón Angona, Irene, Bernard, Paul J., Simakov, Alexey, Maj, Maciej, Jozwiak, Krzysztof, Novotna, Anna, Lemke, Carina, Gütschow, Michael, Martin, Helene, Oset Gasque, María Jesús, Contelles, José Marco, Ismaili, Lhassane
مصطلحات موضوعية: Calcium channel inhibitors, Proteases inhibitors, Antioxidant response element, ORAC, Alzheimer’s disease, Farmacia, 24 Ciencias de la Vida
وصف الملف: application/pdf
Relation: Pachón-Angona, I.; Bernard, P.J.; Simakov, A.; Maj, M.; Jozwiak, K.; Novotna, A.; Lemke, C.; Gütschow, M.; Martin, H.; Oset-Gasque, M.-J.; et al. Design and Synthesis of Multi-Functional Ligands through Hantzsch Reaction: Targeting Ca2+ Channels, Activating Nrf2 and Possessing Cathepsin S Inhibitory, and Antioxidant Properties. Pharmaceutics 2024, 16, 121. https://doi.org/10.3390/pharmaceutics 16010121; https://hdl.handle.net/20.500.14352/111903
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3Academic JournalLeveraging molecular structure and bioactivity with chemical language models for de novo drug design
المؤلفون: Moret, Michael, Pachon Angona, Irene, Cotos, Leandro, Yan, Shen, Atz, Kenneth, Brunner, Cyrill, Baumgartner, Martin, Grisoni, Francesca, Schneider, Gisbert
المصدر: Moret, Michael; Pachon Angona, Irene; Cotos, Leandro; Yan, Shen; Atz, Kenneth; Brunner, Cyrill; Baumgartner, Martin; Grisoni, Francesca; Schneider, Gisbert (2023). Leveraging molecular structure and bioactivity with chemical language models for de novo drug design. Nature Communications, 14(1):114.
مصطلحات موضوعية: Medical Clinic, Institute of Molecular Life Sciences, 570 Life sciences, biology, 610 Medicine & health
وصف الملف: application/pdf
Relation: https://www.zora.uzh.ch/id/eprint/226966/1/PMID36611029_Moret_Nature_communictions_2022.pdf; https://www.zora.uzh.ch/id/eprint/226966/8/41467_2022_Article_35692.pdf; info:pmid/36611029; urn:issn:2041-1723
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4Academic Journal
المؤلفون: Pasquereau, Sébastien, Galais, Mathilde, Bellefroid, Maxime, Pachón Angona, Irene, Morot-Bizot, Stéphanie, Ismaili, Lhassane, Van Lint, Carine, Herbein, Georges
المصدر: Scientific reports, 12 (1
مصطلحات موضوعية: Sciences bio-médicales et agricoles, Humans, Coronavirus 229E, Human, SARS-CoV-2, RNA, Viral, COVID-19 Drug Treatment
وصف الملف: 1 full-text file(s): application/pdf
Relation: uri/info:doi/10.1038/s41598-022-24682-9; uri/info:pii/10.1038/s41598-022-24682-9; uri/info:pmid/36434137; uri/info:scp/85142476770; uri/info:pmcid/PMC9700709; https://dipot.ulb.ac.be/dspace/bitstream/2013/356139/1/doi_339783.pdf; http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/356139
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5Academic Journal
المؤلفون: Pasquereau, Sébastien, Galais, Mathilde, Bellefroid, Maxime, Pachón Angona, Irene, Morot-Bizot, Stéphanie, Ismaili, Lhassane, Van Lint, Carine, Herbein, Georges
المساهمون: IF@ULB program, Fonds De La Recherche Scientifique - FNRS, Conseil régional de Bourgogne-Franche-Comté, Université Libre de Bruxelles, Université de Franche-Comté
المصدر: Scientific Reports ; volume 12, issue 1 ; ISSN 2045-2322
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6Academic Journal
المؤلفون: Pachón-Angona, Irene, Bernard, Paul J., Simakov, Alexey, Maj, Maciej, Jozwiak, Krzysztof, Novotna, Anna, Lemke, Carina, Gütschow, Michael, Martin, Helene, Oset-Gasque, María-Jesús, Contelles, José-Marco, Ismaili, Lhassane
المصدر: Pharmaceutics; Jan2024, Vol. 16 Issue 1, p121, 14p
مصطلحات موضوعية: CALCIUM ions, CALCIUM channels, NUCLEAR factor E2 related factor, LIGANDS (Biochemistry), OXIDANT status, ANTIOXIDANTS
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7Academic Journal
المؤلفون: Pachón-Angona, Irene, Refouvelet, Bernard, Andrýs, Rudolf, Martin, Helène, Luzet, Vincent, Iriepa, Isabel, Moraleda, Ignacio, Diez-Iriepa, Daniel, Oset-Gasque, María-Jesús, Marco-Contelles, José, Musilek, Kamil, Ismaili, Lhassane
المساهمون: Regional Council of Franche-Comté, ERDF/ESF project PharmaBrain, University of Hradec Kralove
المصدر: Journal of Enzyme Inhibition and Medicinal Chemistry ; volume 34, issue 1, page 479-489 ; ISSN 1475-6366 1475-6374
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8Academic Journal
المؤلفون: Grosjean, Sylvain, Pachón-Angona, Irene, Dawra, Michella, Refouvelet, Bernard, Ismaili, Lhassane
المساهمون: Regional Council of Bourgogne Franche Comté
المصدر: Future Medicinal Chemistry ; volume 14, issue 21, page 1583-1606 ; ISSN 1756-8919 1756-8927
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9Academic Journal
المؤلفون: Pachón-Angona, Irene, Maj, Maciej, Wnorowski, Artur, Martin, Helene, Jóźwiak, Krzysztof, Ismaili, Lhassane
المساهمون: Laboratoires de neurosciences intégratives et cliniques (EA 481), Université Bourgogne Franche-Comté COMUE (UBFC)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC)
المصدر: ISSN: 1756-8919 ; Future Medicinal Chemistry ; https://univ-fcomte.hal.science/hal-03654559 ; Future Medicinal Chemistry, 2021, 13 (20), pp.1717-1729. ⟨10.4155/fmc-2021-0176⟩.
مصطلحات موضوعية: [CHIM.THER]Chemical Sciences/Medicinal Chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry
Relation: hal-03654559; https://univ-fcomte.hal.science/hal-03654559
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10Academic Journal
المؤلفون: Zribi, Lazhar, Pachòn-Angona, Irene, Bautista-Aguilera, Òscar, Diez-Iriepa, Daniel, Marco-Contelles, José, Ismaili, Lhassane, Iriepa, Isabel, Chabchoub, Fakher
المساهمون: Laboratoires de neurosciences intégratives et cliniques (EA 481), Université Bourgogne Franche-Comté COMUE (UBFC)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC)
المصدر: ISSN: 1420-3049 ; Molecules ; https://univ-fcomte.hal.science/hal-03654594 ; Molecules, 2020, 25 (14), pp.3190. ⟨10.3390/molecules25143190⟩.
مصطلحات موضوعية: [CHIM.ORGA]Chemical Sciences/Organic chemistry, [CHIM.THER]Chemical Sciences/Medicinal Chemistry
Relation: hal-03654594; https://univ-fcomte.hal.science/hal-03654594; PUBMEDCENTRAL: PMC7397274
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11Academic Journal
المؤلفون: Pachòn Angona, Irene, Daniel, Solene, Martin, Helene, Bonet, Alexandre, Wnorowski, Artur, Maj, Maciej, Jóźwiak, Krzysztof, Silva, Tiago Barros, Refouvelet, Bernard, Borges, Fernanda, Marco-Contelles, José, Ismaili, Lhassane
المساهمون: Laboratoires de neurosciences intégratives et cliniques (EA 481), Université Bourgogne Franche-Comté COMUE (UBFC)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC)
المصدر: ISSN: 1420-3049 ; Molecules ; https://univ-fcomte.hal.science/hal-03654614 ; Molecules, 2020, 25 (6), pp.1329. ⟨10.3390/molecules25061329⟩.
مصطلحات موضوعية: [CHIM.ORGA]Chemical Sciences/Organic chemistry, [CHIM.THER]Chemical Sciences/Medicinal Chemistry
Relation: hal-03654614; https://univ-fcomte.hal.science/hal-03654614; PUBMEDCENTRAL: PMC7144121
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12Academic Journal
المؤلفون: Pachón Angona, Irene, Martin, Helene, Daniel, Solene, Moraleda, Ignacio, Bonet, Alexandre, Wnorowski, Artur, Maj, Maciej, Jozwiak, Krzysztof, Iriepa, Isabel, Refouvelet, Bernard, Marco-Contelles, José, Ismaili, Lhassane
المساهمون: Laboratoires de neurosciences intégratives et cliniques (EA 481), Université Bourgogne Franche-Comté COMUE (UBFC)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC)
المصدر: ISSN: 1661-6596.
مصطلحات موضوعية: [CHIM.ORGA]Chemical Sciences/Organic chemistry, [CHIM.THER]Chemical Sciences/Medicinal Chemistry
Relation: hal-03654589; https://univ-fcomte.hal.science/hal-03654589; PUBMEDCENTRAL: PMC7589057
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13Academic Journal
المؤلفون: Pachón-Angona, Irene, Martin, Helène, Chhor, Stecy, Oset-Gasque, María-Jesús, Refouvelet, Bernard, Marco-Contelles, José, Ismaili, Lhassane
المساهمون: Laboratoires de neurosciences intégratives et cliniques (EA 481), Université Bourgogne Franche-Comté COMUE (UBFC)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC)
المصدر: ISSN: 1756-8919 ; Future Medicinal Chemistry ; https://univ-fcomte.hal.science/hal-03654634 ; Future Medicinal Chemistry, 2019, 11 (24), pp.3097-3108. ⟨10.4155/fmc-2019-0191⟩.
مصطلحات موضوعية: [CHIM.ORGA]Chemical Sciences/Organic chemistry, [CHIM.THER]Chemical Sciences/Medicinal Chemistry
Relation: hal-03654634; https://univ-fcomte.hal.science/hal-03654634
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14Academic Journal
المؤلفون: Benchekroun, Mohamed, Pachón-Angona, Irene, Luzet, Vincent, Martin, Helene, Oset-Gasque, María-Jesús, Marco-Contelles, José, Ismaili, Lhassane
المساهمون: Laboratoires de neurosciences intégratives et cliniques (EA 481), Université Bourgogne Franche-Comté COMUE (UBFC)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC)
المصدر: ISSN: 0045-2068.
مصطلحات موضوعية: [CHIM.ORGA]Chemical Sciences/Organic chemistry, [CHIM.THER]Chemical Sciences/Medicinal Chemistry
Relation: hal-03654657; https://univ-fcomte.hal.science/hal-03654657
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15Academic Journal
المؤلفون: Pachón-Angona, Irene, Maj, Maciej, Wnorowski, Artur, Martin, Helene, Jóźwiak, Krzysztof, Ismaili, Lhassane
المصدر: Future Medicinal Chemistry; Oct2021, Vol. 13 Issue 20, p1717-1729, 13p
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16Dissertation/ Thesis
المؤلفون: Pachón-Angona, Irène
المساهمون: Bourgogne Franche-Comté, Ismaïli, Lhassane, Oset-Gasque, María Jesús
المصدر: Theses.fr
مصطلحات موضوعية: Maladie d’Alzheimer, Réactions multicomposants, Composes multicibles, Ugi reaction, Hantzsch reaction, Alzheimer’s disease, Multicomponent reactions, Multi-Targeted directed ligands, edu, envir
Relation: 10670/1.b6mrfi; http://www.theses.fr/2019UBFCE015
الاتاحة: http://www.theses.fr/2019UBFCE015