An Organophosphorus Compound and its Physicochemical Characterization, In Silico Metabolite and Macromolecules Interaction Prediction and Cell Culture Testing

被引：0

作者：

Sokrateva, Todorka ^{[1
]}

Vankova, Deyana ^{[1
]}

Ivanova, Diana ^{[1
]}

Wilczynski, Slawomir ^{[2
]}

Koleva, Vanya ^{[3
]}

Koleva, Yana ^{[4
]}

Enchev, Dobromir ^{[5
]}

Kiselova-Kaneva, Yoana ^{[1
]}

机构：

[1] Med Univ Varna, Dept Biochem Mol Med & Nutrigen, Varna, Bulgaria

[2] Med Univ Silesia, Dept Basic Biomed Sci, Sosnowiec, Poland

[3] Univ K Preslavsky, Dept Biol, Shumen, Bulgaria

[4] Univ Prof Dr Asen Zlatarov, Dept Chem, Burgas, Bulgaria

[5] Univ K Preslavsky, Dept Chem, Shumen, Bulgaria

来源：

JOURNAL OF IMAB | 2021年 / 27卷

关键词：

organophosphorus; (Q)SAR; gene expression;

D O I：

暂无

中图分类号：

R5 [内科学];

学科分类号：

1002 ; 100201 ;

摘要：

Our goal was to examine physicochemical characterization of a synthesized compound 5-Ethyl-5-methyl-4-bromo-2-N-buthylamido-2,5-dihydro-1,2-oxaphosphol-2-oxide (Br-oxph-1), to perform in silico metabolism prognosis and to test its cytotoxicity and gene expression effects. In silico modelling revealed 37 probable metabolites some of them with DNA and protein binding properties. At low concentrations, Br-oxph-1 potentiates cell proliferation and its IC50 is 0.442 mg/mL. Concentration of 0.25 mg/mL caused most prominent effect on GCLc and GPx1 expression causing 8 (p < 0.01) and 3 ( p < 0.001) fold change, respectively.

引用

页码：90 / 93

页数：4

共 1 条

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