Fig. 11 | Scientific Reports

Fig. 11

From: Identification of osteoarthritis-associated chondrocyte subpopulations and key gene-regulating drugs based on multi-omics analysis

Fig. 11

Interaction network analysis of hub genes-Drug. (AE) Drug-hub gene regulatory networks were constructed for each of the five hub genes based on the RNAactDrug database. The selection parameters were FDR < 0.01, P-value < 0.001, and the data sources were CCLE, GDSC and Cellminer; (FI) Molecular docking pattern map of CHI3L1 with drugs. The free energy of binding of CHI3L1 to CAY10603 was − 4.75 kcal/mol (F), the free energy of binding of CHI3L1 to Tenulin was − 6.55 kcal/mol (G), the free energy of binding of CHI3L1 to T0901317 was − 4.86 kcal/mol (H), the free energy of binding of CHI3L1 to The free energy of CHI3L1 binding to T0901317 was − 4.86 kcal/mol (H), and that of CHI3L1 binding to Nonactin was − 14.1 kcal/mol (I). In the figure, purple color represents CHI3L1, cyan color is the drug small molecule, green color is the amino acid residue, and red color is the hydrogen bond that binds them.

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