Methylpiperazine-based 1,2,4-triazole derivatives as potent DNA gyrase b inhibitors with promising broad-spectrum antimicrobial activity

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dc.contributor.authorUygun Cebeci, Yıldız
dc.contributor.authorKeşkek Karabulut, Yasemin
dc.contributor.authorCeylan, Şule
dc.date.accessioned2026-07-06T13:38:08Z
dc.date.available2026-07-06T13:38:08Z
dc.date.issued2025
dc.departmentAÇÜ, Artvin Meslek Yüksekokulu, Laboratuvar Teknolojisi Bölümü
dc.description.abstractAbstract: The emergence of antimicrobial resistance (AMR) poses a critical threat to global health, underscoring the need for new antimicrobial agents. In this study, a novel series of 1,2,4-triazole derivatives was synthesized from methylpiperazine intermediates via esterification, hydrazide formation, thiourea condensation, and Mannich-type reactions. Structural characterization was performed using FT-IR, 1H, 13C NMR, and EI-MS techniques. Antimicrobial activities of the synthesized compounds were evaluated via broth microdilution. One derivative displayed remarkable broad-spectrum activity with MIC values <0.24 µg/mL against E. coli, S. aureus, M. smegmatis, and C. albicans. Molecular docking against E. coli DNA gyrase B (PDB: 4PRV) revealed strong binding affinities for two derivatives (–9.9 and –9.8 kcal/mol), correlating well with in vitro results. Key interactions included hydrogen bonding, π–π stacking, and halogen bonding. SAR analysis emphasized the role of electron-withdrawing and hydrophobic groups in enhancing activity. These triazole derivatives show promise as potent antimicrobial candidates targeting DNA gyrase B.
dc.identifier.doi10.1134/S1070363225602820
dc.identifier.endpage2910
dc.identifier.issn10703632
dc.identifier.issue10
dc.identifier.scopus2-s2.0-105020758225
dc.identifier.scopusqualityQ3
dc.identifier.startpage2900
dc.identifier.urihttps://hdl.handle.net/11494/6256
dc.identifier.volume95
dc.identifier.wosWOS:001606918900013
dc.identifier.wosqualityQ4
dc.indekslendigikaynakScopus
dc.indekslendigikaynakWeb of Science
dc.institutionauthorCeylan, Şule
dc.language.isoen
dc.publisherPleiades Publishing
dc.relation.ispartofRussian Journal of General Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subject1
dc.subject2
dc.subject4-triazole
dc.subjectAntimicrobial activity
dc.subjectDNA gyrase B inhibition
dc.subjectMethylpiperazine
dc.subjectMolecular docking
dc.subjectStructure–activity relationship (SAR)
dc.titleMethylpiperazine-based 1,2,4-triazole derivatives as potent DNA gyrase b inhibitors with promising broad-spectrum antimicrobial activity
dc.typeArticle

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