N-Substituted 2-(Benzenosulfonyl)-1-Carbotioamide Derivatives Exert Antimicrobial and Cytotoxic Effects via Aldehyde Dehydrogenase Pathway: Synthesis, In Silico and In Vitro Studies

被引：1
|
作者：
Walczak-Nowicka, Lucja [1 ]
Biernasiuk, Anna [2 ]
Ziemichod, Wojciech [3 ]
Karczmarzyk, Zbigniew [4 ]
Kwasnik, Mateusz [5 ]
Kozyra, Pawel [3 ]
Wysocki, Waldemar [4 ]
Stenzel-Bembenek, Agnieszka [6 ]
Kowalczuk, Dorota [7 ]
Herbet, Mariola [1 ]
Pitucha, Monika [3 ]
机构：
[1] Med Univ Lublin, Fac Pharm, Chair & Dept Toxicol, Jaczewskiego 8b, PL-20090 Lublin, Poland
[2] Med Univ Lublin, Fac Pharm, Dept Pharmaceut Microbiol, Chodzki 1, PL-20093 Lublin, Poland
[3] Med Univ Lublin, Fac Pharm, Independent Radiopharm Unit, Chodzki 4a, PL-20093 Lublin, Poland
[4] Univ Siedlce, Inst Chem, 3 Maja 54, PL-08110 Siedlce, Poland
[5] John Paul II Catholic Univ Lublin, Fac Med, Dept Mol Biol, Konstantynow 1J-4-03, PL-20708 Lublin, Poland
[6] Med Univ Lublin, Fac Med, Dept Biochem & Mol Biol, Chodzki 1, PL-20093 Lublin, Poland
[7] Med Univ Lublin, Fac Pharm, Dept Med Chem, Jaczewskiego 4, PL-20090 Lublin, Poland
来源：
PHARMACEUTICALS | 2023年 / 16卷 / 12期
关键词：
thiosemicarbazide; antimicrobial; anticancer: in silico; aldehyde dehydrogenase; docking; BIOLOGICAL EVALUATION; THIOSEMICARBAZIDE HYBRIDS; DRUG DISCOVERY; ANTIBACTERIAL; DOCKING; DESIGN; BIOAVAILABILITY; ANTICANCER; ABSORPTION; CELLS;
D O I：
10.3390/ph16121706
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
A series of N-Substituted 2-(benzenosulfonyl)-1-carbotioamide derivatives (WZ1-WZ4) were synthesized and characterized using spectral methods. A comprehensive activity study was performed for each compound. All compounds were tested for antibacterial activity. Moreover, in silico studies were carried out to determine the anticancer potential of the designed WZ1-WZ4 ligands. Based on molecular docking, aldehyde dehydrogenase was selected as a molecular target. The obtained data were compared with experimental data in vitro tests. Novel hybrids of the thiosemicarbazide scaffold and sulfonyl groups may have promising anticancer activity via the aldehyde dehydrogenase pathway. The best candidate for further studies appears to be WZ2, due to its superior selectivity in comparison to the other tested compounds.
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页数：28
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