Synthesis of New Drug-Like Piperazine-2,5-diones by the Ugi/Tandem Process Catalyzed by TMSOTf and Their Molecular Docking

Autor:	Ahmed Majeed Jassem, Faeza Abdul Kareem Almashal, Adil Muala Dhumad
Rok vydání:	2020
Předmět:	Trimethylsilyl 010405 organic chemistry Chemistry Hydrogen bond Stereochemistry Protein Data Bank (RCSB PDB) Biological activity General Chemistry 010402 general chemistry 01 natural sciences 0104 chemical sciences Androgen receptor chemistry.chemical_compound Piperazine Sulfonate Estrogen receptor alpha
Zdroj:	Russian Journal of General Chemistry. 90:2181-2188
ISSN:	1608-3350 1070-3632
DOI:	10.1134/s1070363220110262
Popis:	A new four-components post-Ugi transformation process has been studied. It provides an efficient access to biologically active piperazine-2,5-dione derivatives in high yield. The framework of piperazine-2,5-dione derivatives has been constructed by a tandem-decarboxylation of α-keto carboxylic acids promoted by a green catalyst trimethylsilyl trifluoromethane sulfonate (TMSOTf). Molecular docking study of piperazine-2,5-dione derivatives has been performed with various anticancer target proteins: human androgen receptor (AR) (PDB ID: 1E3G), human steroidogenic cytochrome P450 17A1 (PDB ID: 4NKV), epidermal growth factor receptor 2 HER2 (PDB ID: 3PP0), and estrogen receptor alpha (ERα) (PDB ID: 1A52), and has indicated their possible efficient interactions via hydrogen bonds.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b80aef03d255b4902c05cd0927bd4c60 https://doi.org/10.1134/s1070363220110262 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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