Analysis of antimicrobial activity and biofilm inhibition of Ag-NHC complexes by in-vitro and molecular docking method
Küçük Resim Yok
Tarih
2025
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Taylor & Francis Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
AimsMetal-N-heterocyclic carben (NHC) complexes have garnered significant attention from synthesis chemistry. Silver is well known for its broad-spectrum antimicrobial activity, and it exhibits their activities with different mechanisms. In this study, we combined these two important scaffolds, analyzed for possible antimicrobial and antibiofilm activity, and evaluated the interactions against DNA Gyrase, SarA, Human Serum Albumin, and DNA for getting insight into the antimicrobial and antibiofilm details.Materials & methodsFour new Ag-NHC complexes (2a-d) were prepared from corresponding benzimidazolium salts (1a-d) and revealed by elemental analysis, FT-IR, NMR, LC-MS, and HRMS. The antimicrobial and antibiofilm properties of both ligands and complexes were evaluated with in-vitro and molecular docking methods which were performed against DNA Gyrase, SarA, Human Serum Albumin, and DNA.Results and conclusions1d showed superior activity while 2a and 2d were effective against C. albicans, with activity comparable to fluconazole in the range of 8.6-8.7 mu M. The highest binding affinity was recorded for 2a as -7.93 kcal/mol against DNA Gyrase, while 2b has the best interactions with -5.49 kcal/mol against SarA. and -7.74 kcal/mol binding affinity was determined for 2a with molecular docking. All the molecules interacted with the same grove of DNA.
Açıklama
Anahtar Kelimeler
Silver Complexes, N-Heterocyclic Carbene, Antimicrobial, Biofilm Inhibition, Molecular Docking
Kaynak
Future Medicinal Chemistry
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
17
Sayı
17
