PAD4-DB: A Curated Structure–Activity Resource Reveals Hub-Organized Activity Cliffs and Scaffold-Dependent SAR Ruggedness in PAD4 Inhibitors
Nidhal Tarhouni, Ahmed Bayoudh, Amira Mahfoudhi, Bilel Hadrich, Karim Kriaa, Imen Kallel · 2026
Read PAD4-DB: A Curated Structure–Activity Resource Reveals Hub-Organized Activity Cliffs and Scaffold-Dependent SAR Ruggedness in PAD4 Inhibitors by Nidhal Tarhouni, Ahmed Bayoudh, Amira Mahfoudhi, Bilel Hadrich, Karim Kriaa, Imen Kallel (2026) 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-13607315.txt.
Description
Nidhal Tarhouni and co-authors present a 2026 database on inhibitors of an enzyme called PAD4. The enzyme is a rising drug target in cancer, inflammation, and blood-cell trap diseases. Public activity data on its inhibitors were spread across sources, with duplicates and uneven labels. The team built a cleaned resource from three major repositories, with 3,093 distinct inhibitors.
Pairs of like compounds were checked for activity cliffs, where a tiny change causes a huge potency shift. Such cliffs were rare: only 94 pairs met the strict test. Four hub compounds drove over half of those cliff pairs. Most scaffold families were smooth, with no cliffs at all. The resource also flags how much data are truly independent across sources.
Catalog record
| CREATOR | Nidhal Tarhouni, Ahmed Bayoudh, Amira Mahfoudhi, Bilel Hadrich, Karim Kriaa, Imen Kallel |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 56 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |