Mechanistic insights into Farnesiferol A and 3-Epioleanolic Acid against Bladder Cancer revealed by integrated Network Pharmacology and Molecular Dynamics

This repository contains the supplementary data supporting the study “Mechanistic insights into Farnesiferol A and 3-Epioleanolic Acid against Bladder Cancer Revealed by Integrated Network Pharmacology and Molecular Dynamics.” Included materials comprise physicochemical properties, predicted targets, BLCA-related gene sets, enrichment analysis results, docking parameters, EF–target docking poses, and raw outputs from molecular docking, MD simulations, and MM/GBSA calculations. Raw MD trajectories are not included due to size constraints; however, all essential data required to reproduce docking, enrichment, and MD-based analyses are provided.