Wenqiang Cui

CFTR Modulation by Plantago asiatica Flavonoids: A Potential Antisecretory Mechanism Against Diarrhoea

Plantago asiatica L. (P. asiatica) is traditionally used to treat diarrhoea in veterinary medicine, but its molecular basis remains unclear. In rodent models, the water extract and active fractions reduced intestinal fluid accumulation without significant transit inhibition by th...

Evaluating Mechanical-EmbeddingML/MM for PredictingMutation Effects in Chorismate Mutase Catalysis

Abstract Predicting how mutations alter enzyme catalysis remains a central challenge in enzymology and enzyme engineering. Although quantum mechanics/molecular mechanics (QM/MM) simulations can in principle compute the activation free energy associated with enzymatic reactions, t...