Computational exploration of palmitoyl-protein thioesterase 1 inhibition by Juniperus phoenicea L. for anti-dementia treatment
Riyan A. Putera Irsal, Gusnia Meilin Gholam, Maheswari Alfira Dwicesaria, Tiyara F. Mansyah, Fernanda Chairunisa · 2024
Read Computational exploration of palmitoyl-protein thioesterase 1 inhibition by Juniperus phoenicea L. for anti-dementia treatment by Riyan A. Putera Irsal, Gusnia Meilin Gholam, Maheswari Alfira Dwicesaria, Tiyara F. Mansyah, Fernanda Chairunisa (2024) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-11728884.txt.
Description
Riyan Putera Irsal and co-authors screen a juniper plant for compounds that might slow dementia in a 2024 computer study. Dementia affects tens of millions of people, and current drugs mainly target Alzheimer's disease. The team focused on an enzyme linked to dementia, called PPT1.
They docked compounds from Juniperus phoenicea into the enzyme on a computer and ranked the fits. One compound, amentoflavone, bound best and made the most contacts. Safety and activity screens gave mixed rankings among the top three hits. Long motion simulations tested how stable the best pairs were. The work is an early in-silico lead, not a tested treatment.
Catalog record
| CREATOR | Riyan A. Putera Irsal, Gusnia Meilin Gholam, Maheswari Alfira Dwicesaria, Tiyara F. Mansyah, Fernanda Chairunisa |
|---|---|
| YEAR | 2024 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 46 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |