Cytotoxic Activity against A549 Human Lung Cancer Cells and ADMET Analysis of New Pyrazole Derivatives

被引：7

作者：

Czylkowska, Agnieszka ^{[1
]}

Szczesio, Malgorzata ^{[1
]}

Raducka, Anita ^{[1
]}

Rogalewicz, Bartlomiej ^{[1
]}

Krecisz, Pawel ^{[2
]}

Czarnecka, Kamila ^{[2
,3
]}

Szymanski, Pawel ^{[2
,3
]}

Pitucha, Monika ^{[4
]}

Pawlak, Tomasz ^{[5
]}

机构：

[1] Lodz Univ Technol, Fac Chem, Inst Gen & Ecol Chem, PL-90924 Lodz, Poland

[2] Med Univ Lodz, Fac Pharm, Dept Pharmaceut Chem Drug Anal & Radiopharm, PL-90151 Lodz, Poland

[3] Mil Inst Hyg & Epidemiol, Dept Radiobiol & Radiat Protect, PL-01163 Warsaw, Poland

[4] Med Univ Lublin, Fac Pharm, Independent Radiopharmacy Unit, PL-20093 Lublin, Poland

[5] Polish Acad Sci, Ctr Mol & Macromol Studies, PL-90363 Lodz, Poland

来源：

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | 2021年 / 22卷 / 13期

关键词：

cytotoxic activity; pyrazole derivatives; MTT assay; ADMET analysis; single-crystal diffraction; FTIR spectroscopy; NMR spectroscopy thermogravimetric analysis; DRUG DISCOVERY; SELECTION;

D O I：

10.3390/ijms22136692

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Two new pyrazole derivatives, namely compound 1 and compound 2, have been synthesized, and their biological activity has been evaluated. Monocrystals of the obtained compounds were thoroughly investigated using single-crystal X-ray diffraction analysis, FTIR spectroscopy, and NMR spectroscopy. The results gathered from all three techniques are in good agreement, provide complete information about the structures of 1 and 2, and confirm their high purity. Thermal properties were studied using thermogravimetric analysis; both 1 and 2 are stable at room temperature. In order to better characterize 1 and 2, some physicochemical and biological properties have been evaluated using ADMET analysis. The cytotoxic activity of both compounds was determined using the MTT assay on the A549 cell line in comparison with etoposide. It was determined that compound 2 was effective in the inhibition of human lung adenocarcinoma cell growth and may be a promising compound for the treatment of lung cancer.

引用

页数：11

共 36 条

[1]

Abdel-Mohsen S.A., 2018, PHARM CHEM, V10, P44, DOI DOI 10.1016/J.TETLET.2004.03.076

[2]

[Anonymous], 2017, CRYSALISPRO 1 171 39

[3] ProTox-II: a webserver for the prediction of toxicity of chemicals [J].