NICEdrug.ch, a workflow for rational drug design and systems-level analysis of drug metabolism

Autor: Homa MohammadiPeyhani, Anush Chiappino-Pepe, Kiandokht Haddadi, Jasmin Hafner, Noushin Hadadi, Vassily Hatzimanikatis

Publikováno v: eLife, Vol 10 (2021)

The discovery of a drug requires over a decade of intensive research and financial investments – and still has a high risk of failure. To reduce this burden, we developed the NICEdrug.ch resource, which incorporates 250,000 bioactive molecules, and

Externí odkaz: https://doaj.org/article/e4172a82a98947bda3ce2cccd21fc37a

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Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening

Autor: Guilherme Martins Silva, Suzane Quintana Gomes, Lorane Izabel da Silva Hage-Melim, Leonardo B Federico, Isaque Antonio Galindo Francischini, Mariana Pegrucci Barcelos, Carlos Henrique Tomich de Paula da Silva

Publikováno v: Future Medicinal Chemistry

Background: The new coronavirus pandemic has had a significant impact worldwide, and therapeutic treatment for this viral infection is being strongly pursued. Efforts have been undertaken by medicinal chemists to discover molecules or known drugs tha

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b079024dbb18f94d598f5be8c0d977cd
http://europepmc.org/articles/PMC8240648

Pyrazolopyrimide library screening in glioma cells discovers highly potent antiproliferative leads that target the PI3K/mTOR pathway

Autor: Samuel H. Myers, Teresa Valero, Asier Unciti-Broceta, Daniel J. Baillache, Craig Fraser

Publikováno v: Valero Grinan, M, Baillache, D, Fraser, C, Myers, S & Unciti-Broceta, A 2019, ' Pyrazolopyrimide library screening in glioma cells discovers highly potent antiproliferative leads that target the PI3K/mTOR pathway ', Bioorganic and Medicinal Chemistry . https://doi.org/10.1016/j.bmc.2019.115215
Bioorganic & Medicinal Chemistry

Graphical abstract
The search for novel targeted inhibitors active on glioblastoma multiforme is crucial to develop new treatments for this unmet clinical need. Herein, we report the results from a screening campaign against glioma cell lines us

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::636f06952312f2b857b3309c8b8b7d3f
https://hdl.handle.net/20.500.11820/3433c2e6-aa46-486f-a6ae-c7a7b95b67de