Fig. 4 | Scientific Reports

Fig. 4

From: Detection of probable phytochemical inhibitors targeting kallikrein related peptidase 7 (KLK7) in ovarian cancer through molecular dynamics and virtual screening approaches

Fig. 4

MD simulation analysis of the KLK7 Aristolactam-N-beta-D-glycoside complex. (A) RMSD over 200 ns showing the stability of KLK7, Aristolactam-N-beta-D-glycoside complex, and Aristolactam-N-beta-D-glycoside alone. (B) Hydrogen bond count throughout the simulation, indicating interaction stability. (C) Radius of Gyration showing KLK7 compactness over time. (D) RMSF indicating residue flexibility, comparing the initial and final 1000 frames.

Back to article page