Tian-Ying Wu

Elucidating the MultiPathway Therapeutic Potential of Trichosantheskirilowii Bioactives in Intestinal Obstruction via Network Pharmacology and Molecular Dynamics.

Intestinal obstruction (IO) disrupts normal intestinal transit and involves dysmotility, mucosal stress, and inflammation. This computational workflow evaluated a 10-compound Trichosanthes kirilowii docking panel, a filtered disease-target set, MOE docking validation, and 100 ns MOE molecular dynamics and MM/GBSA endpo...