Identification of AChE-Targeting Anti-Cerebral Palsy Constituents From Coptis chinensis Using Affinity...

The purpose of this study was to identify the key active components of Coptis chinensis and elucidate its mechanisms of action in the intervention of cerebral palsy (CP) by means of affinity ultrafiltration. Using acetylcholinesterase (AChE) as the target, coptisine was screened out from the extract of C. chinensis as the component with the strongest binding capacity, which exhibited a binding rate of 21.9% and significant in vitro inhibitory activity (IC₅₀ = 3.24 µg/mL). Molecular docking and molecular dynamics simulations demonstrated that coptisine could bind stably to the active pocket of AChE. Subsequently, verification experiments were carried out on a neonatal rat model of hypoxic-ischemic brain damage (HIBD). The results showed that intervention with coptisine (10 mg/kg) significantly improved spatial learning and memory deficits in the model animals, increased cerebral blood flow in the injured hemisphere, alleviated pathological damage of brain tissues, and inhibited the abnormal activation of AChE in the brain. In summary, this study combined affinity ultrafiltration technology and confirmed that coptisine, identified from C. chinensis extract, can inhibit AChE and exert neuroprotective effects and cerebral blood flow-improving effects. It serves as the key material basis for C. chinensis to ameliorate CP-like neurological deficits, thereby providing candidate molecules and scientific evidence for the development of related drugs.