A series of novel 1,3-thiazole derivatives (5a-i) with a modified phenothiazine moiety were
synthesized and tested against cancer cell line MCF-7 for their cytotoxicity. Most of them (5a-i) were less
cytotoxic or had no activity against MCF-7 cancer cell line.
Material and Methods: The IC50 value of compound (4) was 33.84 μM. The compounds (5a-i) were also
evaluated for antimicrobial activities, but no significant activity was observed. The antioxidant activity was
conducted for target compounds (5a-i). The IC50 value of compound (5b) was 0.151mM.
Results: The total amount of energy, ACE (atomic contact energy), energy of receptor (PDB: 5G5J), and
ligand interaction of structure (4) were found to be 22.448 Kcal.mol-1 , -247.68, and -91.91 Kcal.mol-1,
respectively. The structure (4) is well binded with the receptor because the values of binding energy, steric
energy, and the number of hydrogen bondings are -91.91, 22.448 kcal.mol-1, and 2, respectively. It shows that
structure (4) has good cytotoxicity with MCF-7 in vitro.
Conclusion: The increasing of docking ability of structures (5a-i) with the receptor is presented in increasing
order as (5f)>(5e)>(5g)>(5a)>(5b)>(5d)>(5c)>(5i)>(5h). The structure bearing substitution as thiosemicarbazone
(4), nitrogen heterocyclic (5f), halogen (5e), and azide (5g) showed good cytotoxicity activity