Figure 1 | Scientific Reports

Figure 1

From: Comparison of carbon-sulfur and carbon-amine bond in therapeutic drug: 4β-S-aromatic heterocyclic podophyllum derivatives display antitumor activity

Figure 1

(A) Structure of the tubulin cleavage complex stabilized by podophyllum derivatives. (B) Podophyllotoxin (PTOX) was used as a positive control. PTOX, 4β-S-(1, 3, 4-trizole-2)-4-deoxy-podophyllotoxin (Compound 1S) and Compound 4β-NH-(1, 3, 4-trizole-2)-4-deoxy-podophyllotoxin (Compound 1N) were found to bind the active site between α/β interfaces with the surface model treatment in 3D image. The red and blue surfaces were the hydrophobic and hydrophilic regions, respectively. (C) Active interaction fragments were found to bind the actsive site between α/β interfaces with the amino acids model treatment. Schematic representation of the interactions between tubulin and Compound 1S/1N interactions were marked with lines: pink dotted lines indicate H-bonds length of LYS352 and VAL351, the orange yellow solid lines were π-π stacking interactions to the tubulin. The red solid lines in amino acids were the unsaturated bonds.

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