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Antibacterial Activities and Molecular Docking of Novel Sulfone Biscompound Containing Bioactive 1,2,3-Triazole Moiety

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Title: Antibacterial Activities and Molecular Docking of Novel Sulfone Biscompound Containing Bioactive 1,2,3-Triazole Moiety
Authors: Huda R. M. Rashdan, Ihsan A. Shehadi, Mohamad T. Abdelrahman, Bahaa A. Hemdan
Source: Molecules, Vol 26, Iss 16, p 4817 (2021)
Publisher Information: MDPI AG, 2021.
Publication Year: 2021
Collection: LCC:Organic chemistry
Subject Terms: 1,2,3-triazoles, dapsone, sulfone biscompounds, antibacterial activity, MIC, ATP level, Organic chemistry, QD241-441
More Details: In this study, a new synthetic 1,2,3-triazole-containing disulfone compound was derived from dapsone. Its chemical structure was confirmed using microchemical and analytical data, and it was tested for its in vitro antibacterial potential. Six different pathogenic bacteria were selected. MICs values and ATP levels were determined. Further, toxicity performance was measured using MicroTox Analyzer. In addition, a molecular docking study was performed against two vital enzymes: DNA gyrase and Dihydropteroate synthase. The results of antibacterial abilities showed that the studied synthetic compound had a strong bactericidal effect against all tested bacterial strains, as Gram-negative species were more susceptible to the compound than Gram-positive species. Toxicity results showed that the compound is biocompatible and safe without toxic impact. The molecular docking of the compound showed interactions within the pocket of two enzymes, which are able to stabilize the compound and reveal its antimicrobial activity. Hence, from these results, this study recommends that the established compound could be an outstanding candidate for fighting a broad spectrum of pathogenic bacterial strains, and it might therefore be used for biomedical and pharmaceutical applications.
Document Type: article
File Description: electronic resource
Language: English
ISSN: 26164817
1420-3049
Relation: https://www.mdpi.com/1420-3049/26/16/4817; https://doaj.org/toc/1420-3049
DOI: 10.3390/molecules26164817
Access URL: https://doaj.org/article/a042ad0bb7b8478cbebba805020c30b3
Accession Number: edsdoj.042ad0bb7b8478cbebba805020c30b3
Database: Directory of Open Access Journals
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  Data: Molecules, Vol 26, Iss 16, p 4817 (2021)
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  Data: <searchLink fieldCode="DE" term="%221%2C2%2C3-triazoles%22">1,2,3-triazoles</searchLink><br /><searchLink fieldCode="DE" term="%22dapsone%22">dapsone</searchLink><br /><searchLink fieldCode="DE" term="%22sulfone+biscompounds%22">sulfone biscompounds</searchLink><br /><searchLink fieldCode="DE" term="%22antibacterial+activity%22">antibacterial activity</searchLink><br /><searchLink fieldCode="DE" term="%22MIC%22">MIC</searchLink><br /><searchLink fieldCode="DE" term="%22ATP+level%22">ATP level</searchLink><br /><searchLink fieldCode="DE" term="%22Organic+chemistry%22">Organic chemistry</searchLink><br /><searchLink fieldCode="DE" term="%22QD241-441%22">QD241-441</searchLink>
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  Data: In this study, a new synthetic 1,2,3-triazole-containing disulfone compound was derived from dapsone. Its chemical structure was confirmed using microchemical and analytical data, and it was tested for its in vitro antibacterial potential. Six different pathogenic bacteria were selected. MICs values and ATP levels were determined. Further, toxicity performance was measured using MicroTox Analyzer. In addition, a molecular docking study was performed against two vital enzymes: DNA gyrase and Dihydropteroate synthase. The results of antibacterial abilities showed that the studied synthetic compound had a strong bactericidal effect against all tested bacterial strains, as Gram-negative species were more susceptible to the compound than Gram-positive species. Toxicity results showed that the compound is biocompatible and safe without toxic impact. The molecular docking of the compound showed interactions within the pocket of two enzymes, which are able to stabilize the compound and reveal its antimicrobial activity. Hence, from these results, this study recommends that the established compound could be an outstanding candidate for fighting a broad spectrum of pathogenic bacterial strains, and it might therefore be used for biomedical and pharmaceutical applications.
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  Data: 10.3390/molecules26164817
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        Type: general
      – SubjectFull: dapsone
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      – SubjectFull: sulfone biscompounds
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      – SubjectFull: antibacterial activity
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      – SubjectFull: MIC
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      – SubjectFull: ATP level
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      – SubjectFull: Organic chemistry
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      – SubjectFull: QD241-441
        Type: general
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      – TitleFull: Antibacterial Activities and Molecular Docking of Novel Sulfone Biscompound Containing Bioactive 1,2,3-Triazole Moiety
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            NameFull: Mohamad T. Abdelrahman
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              Y: 2021
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