| Yazarlar |
Doç. Dr. Tuncay KARAKURT
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Aydın Tavman
Türkiye |
|
Onur Şahin
Sinop Üniversitesi, Türkiye |
|
Dilşat Nigar Çolak
Türkiye |
|
Ayça Aktaş Karaçelik
Türkiye |
| Özet |
| Abstract: Objective: Bis-benzimidazoles are an interesting class of compounds due to their chelating characteristics, various biological effects, and fluorescence properties. Methods: In this research, a new symmetric bis-benzimidazole derivative including a ketone group, 1,5-bis(1H-benzimidazol-2-yl)pentan-3-one (PBB), was synthesized and characterized. Antibacterial activity of PBB was tested against Gram-negative and Gram-positive bacteria. The total antioxidant capacity (as TEAC value) and free radical scavenging activity of (PBB) was determined by ferric reducing antioxidant power (FRAP) and 1,1-diphenyl-2-picrylhydrazyl (DPPH) methods. Molecular modeling methods have been conducted in order to study the relationship between electronic characteristics and antioxidant activity. Results and Discussion: Molecular modelling techniques and approaches were used to ensure that (PBB) synthesized in this study could be a reliable drug-like ligand, ligand-protein interactions were studied in detail with molecular dynamic (MD) simulation techniques applied at the molecular level, and trajectory analyses after MD were discussed. The total antioxidant capacity (as TEAC value) and free radical scavenging activity results revealed that (PBB) has a moderate inhibition with a SC50 = 1.8686 ± 0.0030 mg/mL value and the FRAP value is 108.89 ± 1.92 μM TEAC. Conclusions: According to the molecular modelling calculations, the antioxidant and antibacterial activities of (PBB) result from the electrophilic and nucleophilic interactions of its electron-rich C=N nitrogen atoms and electron-withdrawing carbon atoms adjacent to the C=O group with the proteins of the target molecules. |
| Anahtar Kelimeler |
| antioxidant activity | bis-benzimidazole | computational study | molecular modelling | X-ray crystal |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Russian Journal of Bioorganic Chemistry |
| Dergi ISSN | 1068-1620 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q4 |
| Makale Dili | Türkçe |
| Basım Tarihi | 08-2024 |
| Cilt No | 50 |
| Sayı | 4 |
| Sayfalar | 1491 / 1511 |
| Doi Numarası | 10.1134/S1068162024040253 |
| Makale Linki | https://doi.org/10.1134/s1068162024040253 |
| Atıf Sayıları |
