Fig. 7. Representation of the docking poses between the active compounds and hub genes. The dashed lines in green indicate the interaction through hydrogen bonding, orange indicates Pi-cation or Pi-anion interactions, purple indicates Pi-sigma interactions, and pink indicates hydrophobic interactions, including alkyl, Pi-alkyl, and amide-Pi-stacked. Interactions between (A) thalifendine and PTGS2, (B) thalifendine and CXCR4, (C) berberrubine and MMP3, (D) berberrubine and FLT1, (E) thalifendine and KDR, (F) dehydrodiscretamine and KDR, (G) berberrubine and MMP2, (H) berberrubine and MMP9, (I) berberrubine and SELE, (J) berberrubine and ICAM1, (K) thalifendine and ICAM1, (L) thalifendine and HIF1A, and (M) berberrubine and HIF1A. PTGS2, prostaglandin-endoperoxide synthase 2; CXCR4, C-X-C motif chemokine receptor 4; MMP, matrix metallopeptidase; FLT1, fms-related receptor tyrosine kinase 1; KDR, kinase insert domain receptor; SELE, selectin E; ICAM1, intercellular adhesion molecule 1; HIF1A, hypoxia-inducible factor 1.

Prev Nutr Food Sci 2024;29:441~453 https://doi.org/10.3746/pnf.2024.29.4.441