Exploring the antimicrobial potential of new selenium- N-heterocyclic carbene complexes and their benzimidazolium salts: synthesis, characterization, biological evaluation, and docking insights

Basit Öğe Kaydı
dc.contributor.authorBoualia, Boutheina
dc.contributor.authorSandeli, Abd el-Krim
dc.contributor.authorBoulebd, Houssem
dc.contributor.authorKarci, Huseyin
dc.contributor.authorDundar, Muhammed
dc.contributor.authorOzdemir, Ilknur
dc.contributor.authorGurbuz, Nevin
dc.date.accessioned2026-04-04T13:37:26Z
dc.date.available2026-04-04T13:37:26Z
dc.date.issued2025
dc.departmentİnönü Üniversitesi
dc.description.abstractThe present work, describes the synthesis and antimicrobial evaluation of new selenium-NHC adducts (3a-e) and their corresponding benzimidazolium salts (2a-e). Specific synthetic approaches were employed, resulting in compounds with satisfactory stability under humid and aerated conditions. Characterization by spectroscopic methods confirmed structural changes upon selenium incorporation. Biological evaluations revealed varying antimicrobial and antifungal activities among the synthesized compounds. The results indicated that the benzimidazolium salts exhibited significantly enhanced antimicrobial and antifungal activities compared to reference agents. For instance, compound 2a demonstrated an IC50 value of 6.25 mu g/mL against Candida albicans, which was comparable to the reference Caspofungin (6.25 mu g/mL). Similarly, compound 2e demonstrated strong antibacterial activity against Staphylococcus aureus, with an IC50 value of 0.8 mu g/mL, significantly outperforming the reference Ampicillin (1.56 mu g/mL). In contrast, the selenium-NHC adducts exhibited moderate to minimal activity, with compound 3e showing the highest IC50 value of 25 mu g/mL against Staphylococcus aureus, but failing to surpass the activity of the reference agent. To explore the potential mechanism of action, molecular docking studies were conducted against Escherichia coli DNA gyrase and CYP51. The molecular docking results demonstrate that synthesized compounds exhibit significant binding affinity against both enzymes, indicating antibacterial and antifungal potential. These binding affinities suggest that these molecules could be effective dual-action antimicrobial agents.
dc.description.sponsorshipIdot;nonu University [Idot;-BAP: FBG-2021-2562]
dc.description.sponsorshipThe authors greatly acknowledge financial support from the & Idot;nonu University Research Fund (& Idot;UE-BAP: FBG-2021-2562) for this work.
dc.identifier.doi10.1007/s11696-024-03866-9
dc.identifier.endpage1454
dc.identifier.issn0366-6352
dc.identifier.issn2585-7290
dc.identifier.issue3
dc.identifier.orcid0000-0001-6325-0216
dc.identifier.orcid0000-0003-3201-3597
dc.identifier.orcid0000-0001-6325-0216
dc.identifier.orcid0000-0002-5709-1623
dc.identifier.orcid0000-0002-7727-8583
dc.identifier.orcid0000-0001-6509-2012
dc.identifier.scopus2-s2.0-105001071016
dc.identifier.scopusqualityQ2
dc.identifier.startpage1439
dc.identifier.urihttps://doi.org/10.1007/s11696-024-03866-9
dc.identifier.urihttps://hdl.handle.net/11616/109801
dc.identifier.volume79
dc.identifier.wosWOS:001385327300001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer Int Publ Ag
dc.relation.ispartofChemical Papers
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250329
dc.subjectSelenium
dc.subjectN-heterocyclic carbene
dc.subjectBenzimidazolium
dc.subjectAntimicrobial
dc.subjectStructure-activity
dc.subjectDocking
dc.titleExploring the antimicrobial potential of new selenium- N-heterocyclic carbene complexes and their benzimidazolium salts: synthesis, characterization, biological evaluation, and docking insights
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu