Synthesis of novel conjugated benzofuran-triazine derivatives: Antimicrobial and in-silico molecular docking studies

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dc.contributor.authorRiyahi, Zahra
dc.contributor.authorAsadi, Parvin
dc.contributor.authorHassanzadeh, Farshid
dc.contributor.authorKhodamoradi, Elahe
dc.contributor.authorGonzalez, Alexa
dc.contributor.authorAbdolmaleki, Mahmood Karimi
dc.date.accessioned2023-09-06T16:53:12Z
dc.date.available2023-09-06T16:53:12Z
dc.date.issued2023-07-27
dc.description.abstractTwo new developments of antibacterial agents, a series of benzofuran-triazine based compounds (8a-8h) were designed and synthesized. The derivatives were prepared through conventional chemical reactions and structurally characterized with FT-IR, 1H and 13C NMR techniques. The antibacterial activity of the synthesized derivatives was assessed against gram-positive bacterial strains (Bacillus subtilis, and Staphylococcus aureus) and gram-negative bacterial strains (Salmonella entritidis and Escherichia coli). Compound 8e, with the MIC value of 125-32 μg/μl against all the examined strains of bacteria, was the most active antibacterial compound. The synthesized derivatives were also studied for docking to the binding sites of dihydrofolate reductase (DHFR) receptor which has a key role in drug resistance associated with bacterial infections. The synthesized compounds showed good interaction with the targets through hydrogen bonding and hydrophobic interactions. According to antibacterial and docking studies, compound 8e could be introduced as a candidate for development of antibacterial compounds.en_US
dc.identifier.citationZahra Riyahi, Parvin Asadi, Farshid Hassanzadeh, Elahe Khodamoradi, Alexa Gonzalez, Mahmood Karimi Abdolmaleki, Synthesis of novel conjugated benzofuran-triazine derivatives: Antimicrobial and in-silico molecular docking studies, Heliyon, Volume 9, Issue 8, 2023, e18759, ISSN 2405-8440, https://doi.org/10.1016/j.heliyon.2023.e18759.en_US
dc.identifier.doihttps://doi.org/10.1016/j.heliyon.2023.e18759
dc.identifier.urihttps://hdl.handle.net/1969.6/97245
dc.language.isoen_USen_US
dc.rightsAttribution 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.subjectanti-bacterial agenten_US
dc.subjectBenzofuranen_US
dc.subjectTriazineen_US
dc.subjectin-silico studyen_US
dc.titleSynthesis of novel conjugated benzofuran-triazine derivatives: Antimicrobial and in-silico molecular docking studiesen_US
dc.typeArticleen_US

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