Identification of new triazoloquinoxaline amine derivatives with potent modulatory effects against Toll-like receptor 7 through pharmacophore-based virtual screening and molecular docking approaches
Nasrin Saberi Harooni, Mohammad Reza Naimi-Jamal, Sajjad Gharaghani, Asal Katebi, Soheila Ajdary, Azar Tahghighi · 2025
Read Identification of new triazoloquinoxaline amine derivatives with potent modulatory effects against Toll-like receptor 7 through pharmacophore-based virtual screening and molecular docking approaches by Nasrin Saberi Harooni, Mohammad Reza Naimi-Jamal, Sajjad Gharaghani, Asal Katebi, Soheila Ajdary, Azar Tahghighi (2025) 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-12747431.txt.
Description
Harooni and five colleagues design new compounds to switch on an immune sensor in twenty twenty-five. The sensor, TLR7, spots virus like patterns and fires immune alarms. Few drugs on the market target it, so fresh leads are prized. Computer feature models screened databases for fits, and docking ranked the hits.
One ring scaffold stood out as the lead shape. Two series of variants were designed, docked, and made by green routes. Safe compounds were tested on immune cells for alarm signals. One variant drove the strongest rise in three key signals. Docking scores matched the lab ranking well, the team notes.
Catalog record
| CREATOR | Nasrin Saberi Harooni, Mohammad Reza Naimi-Jamal, Sajjad Gharaghani, Asal Katebi, Soheila Ajdary, Azar Tahghighi |
|---|---|
| YEAR | 2025 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 48 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |