Loading...
Please wait, while we are loading the content...
Similar Documents
In Vitro and In Silico Evaluation of Cholinesterase Inhibition by Alkaloids Obtained from Branches of Abuta panurensis Eichler
| Content Provider | MDPI |
|---|---|
| Author | Ingrity, Suelen Costa Sá Mesquita, Rochelly Da Silva Kyrylchuk, Andrii Cherednichenko, Anton Bastos, Lílian Macedo Silva, Felipe Moura Araújo da Nunomura, Rita De Cássia Saraiva Grafov, Andriy |
| Copyright Year | 2022 |
| Description | Alkaloids are natural products known as ethnobotanicals that have attracted increasing attention due to a wide range of their pharmacological properties. In this study, cholinesterase inhibitors were obtained from branches of Abuta panurensis Eichler (Menispermaceae), an endemic species from the Amazonian rainforest. Five alkaloids were isolated, and their structure was elucidated by a combination of 1D and 2D$ ^{1}$H and$ ^{13}$C NMR spectroscopy, HPLC-MS, and high-resolution MS: Lindoldhamine isomer m/z 569.2674 (1), stepharine m/z 298.1461 (2), palmatine m/z 352.1616 (3), 5-N-methylmaytenine m/z 420.2669 (4) and the N-trans-feruloyltyramine m/z 314.1404 (5). The compounds 1, 3, and 5 were isolated from A. panurensis for the first time. Interaction of the above-mentioned alkaloids with acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes was investigated in silico by molecular docking and molecular dynamics. The molecules under investigation were able to bind effectively with the active sites of the AChE and BChE enzymes. The compounds 1–4 demonstrated in vitro an inhibitory effect on acetylcholinesterase with $IC_{50}$ values in the range of 19.55 µM to 61.24 µM. The data obtained in silico corroborate the results of AChE enzyme inhibition. |
| Starting Page | 3138 |
| e-ISSN | 14203049 |
| DOI | 10.3390/molecules27103138 |
| Journal | Molecules |
| Issue Number | 10 |
| Volume Number | 27 |
| Language | English |
| Publisher | MDPI |
| Publisher Date | 2022-05-13 |
| Access Restriction | Open |
| Subject Keyword | Molecules Integrative and Complementary Medicine Abuta Panurensis Alkaloids Acetylcholinesterase Butyrylcholinesterase Inhibitory Activity Molecular Docking |
| Content Type | Text |
| Resource Type | Article |
