Open AccessSynthesis, Biological Evaluation and in Silico Studies of Several Substituted Benzene Sulfonamides as Potential Antibacterial Agents
Author(s) -
Aimin Zhang,
Wei Li,
Xiaofang Liu,
Minggen Wu,
Guangshan Xuan
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1624/2/022058
Subject(s) - antibacterial activity , in silico , bioavailability , docking (animal) , cytotoxicity , chemistry , combinatorial chemistry , drug , minimum inhibitory concentration , benzene , stereochemistry , antimicrobial , pharmacology , bacteria , biochemistry , organic chemistry , biology , in vitro , medicine , genetics , nursing , gene
Four substituted benzene sulfonamides were synthesized to obtain antibacterial agents. The antibacterial activities were evaluated by the cup plate method. Compound 2d showed the most obvious inhibitory effect on seven kinds of strains with MIC ranging from 16 to 64µg/mL. The inhibitory effect of compound 2d on A. niger, C. albicans, B. subtilis, and S. aureus was better than that of the control drug SAN. Moreover, the cytotoxicity was evaluated by MTT assay. Finally, the binding patterns of the compounds with dihydrofolate synthetase and the prediction of oral bioavailability were preliminarily studied by computer simulation. The molecular docking result revealed that compound 2d had a stronger interaction with dihydrofolate synthetase than SAN. The oral bioavailability prediction by Molinspiration online program proved that these compounds exhibited drug-like properties. In conclusion, compound 2d is promising as a new antibacterial agent.