Research Paper Volume 13, Issue 20 pp 23702—23725

Selected ideal natural ligand against TNBC by inhibiting CDC20, using bioinformatics and molecular biology

(A) The crystal structure of CDC20. (B) Schematic of intermolecular interaction of ZINC000008434966 with CDC20. (C) Schematic of intermolecular interaction of ZINC000004098930 with CDC20. (D) The crystal structure of CDC20 with ZINC000008434966. (E) The charge between the ZINC000008434966 and CDC20 surface. (F) The crystal structure of CDC20 with ZINC000004098930. (G) The charge between the ZINC000004098930 and CDC20 surface. (H) Potential energy of the compounds ZINC000008434966 and ZINC000004098930, Average backbone root-mean-square deviation. (I) RMSD of the compounds ZINC000008434966 and ZINC000004098930, root-mean-square deviation.

Figure 5. (A) The crystal structure of CDC20. (B) Schematic of intermolecular interaction of ZINC000008434966 with CDC20. (C) Schematic of intermolecular interaction of ZINC000004098930 with CDC20. (D) The crystal structure of CDC20 with ZINC000008434966. (E) The charge between the ZINC000008434966 and CDC20 surface. (F) The crystal structure of CDC20 with ZINC000004098930. (G) The charge between the ZINC000004098930 and CDC20 surface. (H) Potential energy of the compounds ZINC000008434966 and ZINC000004098930, Average backbone root-mean-square deviation. (I) RMSD of the compounds ZINC000008434966 and ZINC000004098930, root-mean-square deviation.