An In Silico Design, Simulation, Virtual Screening, and Evaluation of Natural Products as Inhibitors of Breast Cancer-Causing Kallikrein11Protein and Comparison of Binding Affinities with Approved Drugs

The research results demonstrated that the chosen ligand molecules with ADME parameter values are more acceptable medications, highlighting the ligand molecules' drug-like activity through the inhibition of KLK 11 protein. The identification of novel therapeutic scaffolds for cancer is aided by structural data, active site details, specific ligand molecules, and ROC-AUC of inhibitors.