Research Paper Volume 13, Issue 12 pp 16425—16444

Selected using bioinformatics and molecular docking analyses, PHA-793887 is effective against osteosarcoma


Figure 4. Survival curve analysis, hub gene validation and molecular docking analysis. (A) Kaplan-Meier estimates of PFS and OS in osteosarcoma patients based on CDK1 and TOP2A expression. (B) Validation of TOP2A, CDK1, AURKA, MAD2L1 and RRM2 expression in vitro. *P < 0.05. (C) Crystal structure of CDK1. (D) Ramachandran diagrams of CDK1. (E) Structure of PHA-793887. (F) 2D intermolecular interaction diagram of the PHA-793887/CDK1 complex. (G) Schematic drawing of the interactions between CDK1 and PHA-793887. (H) Potential energy profile and root-mean-square deviation curve of the PHA-793887/CDK1 complex obtained from the molecular dynamics simulation.