In silico screening and molecular analyses identify apigenin from Scutellaria barbata as a potent AKT1 inhibitor in breast cancer
Md Maruf Khan, Md Arju Hossain, Fatematuz Zohora, Md Sohel, Md Faisal Amin, Fatematuz Zuhura Evamoni, M Nazmul Hoque · 2026
Read In silico screening and molecular analyses identify apigenin from Scutellaria barbata as a potent AKT1 inhibitor in breast cancer by Md Maruf Khan, Md Arju Hossain, Fatematuz Zohora, Md Sohel, Md Faisal Amin, Fatematuz Zuhura Evamoni, M Nazmul Hoque (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/plos-pone-0338874.txt.
Description
Md Khan and six colleagues mine a traditional Chinese herb for breast cancer compounds, entirely by computer. Their 2026 study starts with Scutellaria barbata, a plant with a long anticancer reputation. Thirty-four plant chemicals were profiled for drug-likeness and safety. Three flavonoids passed the filters. Network analysis then mapped their likely human targets. Three hub proteins emerged, all central to cancer signalling. Docking simulations tested how snugly each compound grips those targets.
One compound, apigenin, took the headline. It bound the master growth switch AKT1 strongly. Its simulated complex also proved the most stable over a long virtual run. A sister compound actually docked slightly tighter, but moved more. Nothing here has touched a cell, let alone a patient. The contribution is triage. From a whole herb's chemistry, the study picks one prioritised molecule and target. Laboratory testing can now confirm or kill the idea cheaply.
Catalog record
| CREATOR | Md Maruf Khan, Md Arju Hossain, Fatematuz Zohora, Md Sohel, Md Faisal Amin, Fatematuz Zuhura Evamoni, M Nazmul Hoque |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 70263 |
| LICENSE | CC_BY |
| RIGHTS | CC BY |
| SOURCE | PLOS |