| Autor: |
Shumaila Zubair, Amin Badshah, Jahangeer Patujo, Mehmand Khan, Ahmad Raheel, Faiza Asghar, Shamila Imtiaz |
| Jazyk: |
angličtina |
| Rok vydání: |
2023 |
| Předmět: |
|
| Zdroj: |
Heliyon, Vol 9, Iss 4, Pp e14919- (2023) |
| Druh dokumentu: |
article |
| ISSN: |
2405-8440 |
| DOI: |
10.1016/j.heliyon.2023.e14919 |
| Popis: |
Three N, N’, N″-trisubstituted ferrocenyl guanidines (MG-10, MG-12 and MG-14) were synthesized, characterized by several analytical methods such as FT-IR, 1H and 13C NMR, elemental analysis and UV–visible spectroscopy. These compounds have long chain aliphatic groups therefore their aliphatic nature has been evaluated by determining their critical micelle concentration (CMC). CMC point decreases from 0.036 mM to 0.013 mM with increase in the aliphatic chain length. The quantum mechanical parameters such as the energy of frontier molecular orbitals (EHOMO and ELUMO) and the Mulliken charge distribution on the optimized structures were determined using a DFT/B3LYP method combined with the 6-31G (d,p) basis set in the gas phase. The in vitro antidiabetic activity of synthesized compounds showed that MG-12 has IC50value 23.10 μg/mL against α-amylase while MG-10 has IC50value 27.32 μg/mL against α-glucosidase with the respective standard Acarbose (IC50value 20.12 μg/mL). Theoretical docking analysis demonstrated that MG-10 and MG-12 interacted with α-amylase by 3 types of interaction, including hydrogen bonds, hydrophobic interactions and electrostatic interactions. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
|
