Fig 1.
The natural compounds and marketing drugs containing thiazole moiety.
Fig 2.
The method for synthesis of derivatives 6a-e, 10a-d, 14a, b, 15 and 16.
Scheme 1.
Synthesis of compounds 3 and 4.
Fig 3.
The UV spectra of thiazole derivative 6a in ethanol and dioxane.
Scheme 2.
Synthesis of thiazole derivatives 6a-e.
Table 1.
UV Spectral data of compounds 6a-e in dioxane and thiazole 6a in different solvents.
Fig 4.
The 1H & 13C NMR spectra of thiazole derivative 10d.
Scheme 3.
Synthesis of thiazole derivatives 10a-d.
Scheme 4.
Synthesis of Formazan derivatives 14a, b, 15 and 16.
Fig 5.
a. 4b. The XRD chart for compound 10a. 4c. The XRD chart for compound 16.
Table 2.
XRD parameters for nano-crystalline 3, 10a, 14a, 15 and 16 derivatives.
Fig 6.
Anti-gastric and anti-colon activities for the tested derivatives.
Table 3.
The IC50 of the anti-gastric and anti-colon cancer activities of the synthesized derivatives 3, 4, 6a-e, 10a-d, 14a, b, 15 and 16.
Fig 7.
2D and 3D snapshots showing the hydrophilicity interaction to Gastric (SNU-16) Gastric cancer (2BID) receptor.
Table 4.
Docking score and energies of compounds with Gastric (SNU-16) Gastric cancer (2BID) receptor.
Table 5.
Docking interaction of all compounds Gastric (SNU-16) Gastric cancer (2BID) receptor.
Fig 8.
2D and 3D snapshots showing the hydrophilicity interaction to colo205 (PDB = 2A4L).
Table 6.
Docking score and energies of compounds with Colo205 (PDB = 2A4L).
Table 7.
Docking interaction of all compounds Gastric (SNU-16) Gastric cancer (2BID) receptor.
Table 8.
Physicochemical properties of the synthesized compounds.
Table 9.
Physicochemical Molinspiration bioactivity score.
Fig 9.
Similar off-target compounds of compound 10d.
Fig 10.
Similar off-target compounds of compound 16.
Fig 11.
Similar off-target compounds of compound 6d.
Fig 12.
Similar off-target compounds of compound 10a.
Fig 13.
Interpretation of probability of toxicity for compounds 10d, 16, 6d, and 10a.
Fig 14.
Toxicity radar for compounds 10d, 16, 6d and 10a.
Table 10.
The predicted toxicity for 10d, 16, 6d, and 10a using: (a) ProTox-II and (b) Pred-hERG software.