Proteasome inhibitors with pyrazole scaffolds from structure-based virtual screening.
By Zachary C. Miller, Keun-Sik Kim, Keun-Sik Kim, Do-Min Lee, V. Kasam, Si Eun Baek, K. Lee, Yan-Yan Zhang, Lin Ao, K. Carmony and 10 more. 2015
48 citations recorded by the source corpus.
We performed a virtual screen of ~ 340 000 small molecules against the active site of proteasomes followed by in vitro assays and subsequent optimization, yielding a proteasome inhibitor with pyrazole scaffold. The pyrazole-scaffold compound displayed excellent metabolic stability and was highly effective in suppressing solid tumor growth in vivo. Furthermore, the effectiveness of this compound was not negatively impacted by resistance to bortezomib or carfilzomib.
Subfields: Hematology, Molecular Biology, Computational Chemistry & Drug Discovery
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In Molecular Biology
- Glaucius Oliva
- L. Ferreira
- Ricardo N Dos Santos
- Maria Batool
- Adriano Defini Andricopulo
- Sangdun Choi
- Bilal Ahmad
In Computational Chemistry & Drug Discovery
- Glaucius Oliva
- Maria Batool
- Adriano Defini Andricopulo
- L. Ferreira
- Sangdun Choi
- Ricardo N Dos Santos
- Bilal Ahmad
- Giulio Rastelli
Citations in the corpus
- Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “The discovery and development of such chemotherapeutic agents represented a significant advance in the therapy of the disease [210].”
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