Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking

Autor: Cameron F. Abrams, Sergio P. Ribone, Marcos Ariel Villarreal, S. Alexis Paz

Publikováno v: Journal of Computer-Aided Molecular Design
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

Screening already approved drugs for activity against a novel pathogen can be an important part of global rapid-response strategies in pandemics. Such high-throughput repurposing screens have already identifed several existing drugs with potential to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63be36ad62e05b9851bfadacb059804b
https://doi.org/10.1007/s10822-021-00432-3

Evolution of the Synthesis of Remdesivir. Classical Approaches and Most Recent Advances

Autor: Didier Farley Vargas Vargas, Enrique L. Larghi, Teodoro S. Kaufman

Publikováno v: ACS Omega
ACS Omega, Vol 6, Iss 30, Pp 19356-19363 (2021)
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
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The broad-spectrum antiviral Remdesivir, a monophosphate nucleoside analogue prodrug (ProTide), was repurposed. In May 2020, it received emergency approval by the FDA, being the first drug approved to fight the new coronavirus (COVID-19) disease whic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c92c0622153e715279038881c7714abe
http://europepmc.org/articles/PMC8340098

Late‐stage Rh(II)‐catalyzed Nitrene Transfer for the Synthesis of Guaianolide Analogs with Enhanced Antiproliferative Activity

Autor: Philippe Dauban, Viviana E. Nicotra, Benjamin Darses, José M. Padrón, Sebastián J Castro

Publikováno v: European Journal of Organic Chemistry
European Journal of Organic Chemistry, Wiley-VCH Verlag, 2021, 2021 (12), pp.1859-1863. ⟨10.1002/ejoc.202100074⟩
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
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A set of new guaianolide derivatives (1–9) was obtained from ludartin, achalensolide, and 11,13-dihydroachalensolide by application of catalytic nitrene transfer reactions. Intermolecular nitrene C(sp3)−H insertions led to the amination of C-1, C

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::27617c7d421a19843e9003dc6838879f
https://doi.org/10.1002/ejoc.202100074

Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions

Autor: Diego M. Gil, Shaista Anjum, Muhammad Tahir, Antonio Frontera, Abdul Majeed Khan, Shahid Hameed, Muhammad Ashfaq, Murtaza Madni, Muhammad Naeem Ahmed, Saiqa Andleeb

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
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The synthesis and X-ray characterization of 1-(2-(3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazol-5-yl)ethanone (7), ethyl 2-(5-(4-bromophenyl)-3-(4-chlorophenyl)-4,5-dihydropyrazol-1-yl)thiazole-4-carboxylate (8) a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::68cc485b7d4eb3e9ddd1e76de505d53b
https://doi.org/10.1039/d1ce00256b

Coordination Chemistry of Nitric Oxide and Biological Signaling

Autor: José A. Olabe

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

Nitric Oxide (NO) is a key intermediate in the nitrogen redox cycles that operate in soils, water and biological fluids, affording reversible interconversions between nitrates to ammonia and vice-versa. The discovery of its biosynthesis in mammals fo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a2a0be761106366b20f83e04e3ba5f17
https://doi.org/10.52712/sciencereviews.v2i1.33