GPx1 Inhibitors

Three approved drugs

Repurposed FDA-approved drugs thonzonium, nilotinib, and dronedarone offer targeted, low-toxicity GPx1 inhibition for cancer therapy.

Muhammad Waleed, Iqbal · Najeeb-Uz-Zaman Haider, Syed · Nawaz, Muhammad Zohaib · Irfan, Muhammad · Khalid-Al-Ghanim, · Sun, Xinxiao · Yuan, Qipeng

Bioorganic Chemistry 2025

Advantages

Screened from a library of 1615 synthetic compounds

Three drugs (dronedarone, nilotinib, thonzonium) assessed by ADMET, bioactivity probability, MM-GBSA, and MM-PBSA

Molecular dynamics simulations validated complex stability with GPx1