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Akademický článek

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors

Autor: Alexey A. Lagunin, Maria A. Romanova, Anton D. Zadorozhny, Natalia S. Kurilenko, Boris V. Shilov, Pavel V. Pogodin, Sergey M. Ivanov, Dmitry A. Filimonov, Vladimir V. Poroikov

Publikováno v: Frontiers in Pharmacology, Vol 9 (2018)

Estimation of interaction of drug-like compounds with antitargets is important for the assessment of possible toxic effects during drug development. Publicly available online databases provide data on the experimental results of chemical interactions

Externí odkaz: https://doaj.org/article/eadd412cfcc94ac4b99fb31fcd26d8e2

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Akademický článek

Recovering Actives in Multi-Antitarget and Target Design of Analogs of the Myosin II Inhibitor Blebbistatin

Autor: Bart I. Roman, Rita C. Guedes, Christian V. Stevens, Alfonso T. García-Sosa

Publikováno v: Frontiers in Chemistry, Vol 6 (2018)

In multitarget drug design, it is critical to identify active and inactive compounds against a variety of targets and antitargets. Multitarget strategies thus test the limits of available technology, be that in screening large databases of compounds

Externí odkaz: https://doaj.org/article/998163fdb7f7460d8ebabe15dc9c9980

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Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3-d]pyrimidine RET Inhibitors

Publikováno v: ACS Med Chem Lett

[Image: see text] The selective inhibition of RET kinase as a treatment for relevant cancer types including lung adenocarcinoma has garnered considerable interest in recent years and prompted a variety of efforts toward the discovery of small-molecul

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c35f9c99597415f677d735f6ab409d8b
https://doi.org/10.1021/acsmedchemlett.1c00450

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Emerging systemic antitarget treatment for differentiated thyroid carcinoma

Autor: Mireia Mora, Neus Baste, Juan J. Grau

Publikováno v: Current Opinion in Oncology. 33:184-195

Purpose of review We review the new systemic treatment strategies for differentiated thyroid carcinoma, as well as the acquaintance of its molecular biology. Recent findings Multiple kinase inhibitor drugs have become the standard therapy for thyroid

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ba93577892e013937e7806913e20475
https://doi.org/10.1097/cco.0000000000000727

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Comprehensive investigation of selectivity landscape of glycogen synthase kinase-3 inhibitors

Autor: Liliana Pacureanu, Sorin Avram, Luminita Crisan

Publikováno v: Journal of Biomolecular Structure and Dynamics. 39:2318-2337

Interaction signatures of drug candidates are characteristic to off-target (neutral) and antitarget (negative) effects, inferring reduced efficiency, side-effects and high attrition rate. Today's retroactive scaled-down virtual screening (VS) experim

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed526f1db6e1bd0d18e67b84491c61b7
https://doi.org/10.1080/07391102.2020.1747544

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Synthesis, in vitro antimicrobial assessment, and computational investigation of pharmacokinetic and bioactivity properties of novel trifluoromethylated compounds using in silico ADME and toxicity prediction tools

Autor: Siwar Ghannay, Kaïss Aouadi, Adel Kadri

Publikováno v: Monatshefte für Chemie - Chemical Monthly. 151:267-280

1,3-Dipolar cycloaddition reactions of a sugar-based trifluoromethylated nitrone-to-maleimide and allyl bromide afforded a series of cycloadducts in good yield. The same nitrone reacts with propargyl acetate lead, after rearrangement of 4-isoxazoline

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b3527af2bea672a24d437008746fa813
https://doi.org/10.1007/s00706-020-02550-4

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Manganese coordination compounds of mefenamic acid: In vitro screening and in silico prediction of biological activity

Autor: Alketa Tarushi, Dimitris P. Kessissoglou, George D. Geromichalos, George Psomas

Publikováno v: Journal of Inorganic Biochemistry. 190:1-14

The in vitro and in silico biological properties of two manganese complexes with the non-steroidal anti-inflammatory drug mefenamic acid (Hmef) in the presence or absence of salicylaldoxime (Η2sao), i.e. [Μn6(O)2(mef)2(sao)6(CH3OH)4] 1, and [Μn(me

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c3e303b82f71b05111096472ed6794d
https://doi.org/10.1016/j.jinorgbio.2018.09.017

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In silico Exploration of Interactions Between Potential COVID-19 Antiviral Treatments and the Pore of the hERG Potassium Channel—A Drug Antitarget

Autor: Ehab Al-Moubarak, Mohsen Sharifi, Jules C. Hancox

Publikováno v: Frontiers in Cardiovascular Medicine, Vol 8 (2021)
Frontiers in Cardiovascular Medicine
Al-Moubarak, E, Sharifi, M & Hancox, J C 2021, ' In silico Exploration of Interactions Between Potential COVID-19 Antiviral Treatments and the Pore of the hERG Potassium Channel-A Drug Antitarget ', Frontiers in Cardiovascular Medicine, vol. 8, pp. 645172 . https://doi.org/10.3389/fcvm.2021.645172

Background: In the absence of SARS-CoV-2 specific antiviral treatments, various repurposed pharmaceutical approaches are under investigation for the treatment of COVID-19. Antiviral drugs considered for this condition include atazanavir, remdesivir,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::382afff010103e00e08e1b7fced657db
https://www.frontiersin.org/articles/10.3389/fcvm.2021.645172/full

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The importance of tumor stem cells in glioblastoma resistance to therapy

Autor: Stefano Martellucci, Jessica Fabrizi, Francesca Santilli, Vincenzo Mattei, Simona Delle Monache, Claudio Festuccia, Alessandro Colapietro, Adriano Angelucci

Publikováno v: International Journal of Molecular Sciences, Vol 22, Iss 3863, p 3863 (2021)
International Journal of Molecular Sciences

Glioblastoma (GBM) is known to be the most common and lethal primary malignant brain tumor. Therapies against this neoplasia have a high percentage of failure, associated with the survival of self-renewing glioblastoma stem cells (GSCs), which repopu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc13bf9779279b9c18955b45790af8fb
http://hdl.handle.net/11573/1579992

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Autor: Magdalena, Kowalska, Jacek, Nowaczyk, Alicja, Nowaczyk

Publikováno v: International Journal of Molecular Sciences

Safety assessment of pharmaceuticals is a rapidly developing area of pharmacy and medicine. The new advanced guidelines for testing the toxicity of compounds require specialized tools that provide information on the tested drug in a quick and reliabl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::d81ce56600289c908532351bf01f8a43
https://pubmed.ncbi.nlm.nih.gov/33143033

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