Biological and in silico studies of methyl 2-(2-methoxy-2oxoethyl)-4-methylfuran-3-carboxylate as a promising antimicrobial agent

Basit Öğe Kaydı
dc.contributor.authorGanbarov, Khudaverdi
dc.contributor.authorHuseynzada, Alakbar
dc.contributor.authorBinate, Gaoussou
dc.contributor.authorSayin, Koray
dc.contributor.authorSadikhova, Nurlana
dc.contributor.authorIsmailov, Valeh
dc.contributor.authorYusubov, Niftali
dc.date.accessioned2025-05-04T16:45:37Z
dc.date.available2025-05-04T16:45:37Z
dc.date.issued2025
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractHerein, we report the biological and in silico investigations of synthesized furan derivative as a promised antimicrobial agent. The biological activity of synthesized targeted compound was investigated against opportunistic gram-positive (Bacillus mesentericus, B. subtilis and Staphylococcus aureus) and gram- negative (Acinetobacter baumannii, Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa) bacteria, as well as yeast of genus Candida (C. albicans, C. guillermondii and C. tropicalis). The studied substance inhibited the growth of all bacteria and fungi at concentrations of 0.3-0.05%, whereas MIC in relation to the test organisms varied between 62.5 and 15.6 mu g mL showing the lowest value for S. aureus and A. baumannii. The obtained results were also compared with the activity of pristine antibiotics (gentamicin and fluconazole), which revealed the more potent activity of the targeted compound than that of antibiotics. Computational analyses of the studied compound are performed at M06-2X/6-31+G(d,p) level in the water. Molecular docking calculations revealed 2CCG (TMK) and 4FUV (CarO) proteins as target proteins in the case of S. aureus and A. baumannii respectively, whereas p450 cytochrome analyses demonstrated the inhibition of CYP2C9 protein. ADME properties and MM-GBSA analyses showed that the studied compound exhibits better results than pristine antibiotic as in the case of experimental analysis.
dc.identifier.doi10.4025/actascitechnol.v47i1.70564
dc.identifier.issn1806-2563
dc.identifier.issn1807-8664
dc.identifier.issue1
dc.identifier.scopus2-s2.0-105001729352
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.4025/actascitechnol.v47i1.70564
dc.identifier.urihttps://hdl.handle.net/20.500.12418/35157
dc.identifier.volume47
dc.identifier.wosWOS:001457303300004
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherUniv Estadual Maringa, Pro-Reitoria Pesquisa Pos-Graduacao
dc.relation.ispartofActa Scientiarum-Technology
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250504
dc.subjectMethyl 2-(2-methoxy-2-oxoethyl)-4-methylfuran-3-carboxylate
dc.subjectantimicrobial agent
dc.subjectgram-positive and gram-negative bacteria
dc.subjectfungi of genus Candida
dc.subjectMIC
dc.titleBiological and in silico studies of methyl 2-(2-methoxy-2oxoethyl)-4-methylfuran-3-carboxylate as a promising antimicrobial agent
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu