Nature

In silico docking yields small molecule negative allosteric modulators targeting the core of Frizzled 7

Here, we wanted to specifically explore possibilities to target the 7TMD with small-molecule modulators. For this, we utilized docking calculations to a cryo-EM structure of the 7TMD of a G ...
Nature

Mechanistic insights into DEHP-induced progression of non-small cell lung cancer based on network toxicology and molecular docking

Di(2-ethylhexyl) phthalate (DEHP), a widely used plasticizer, has been implicated in various health risks, including tumorigenesis. Non-small cell lung cancer (NSCLC), accounting for over 80% of lung ...