In:
Current Organic Synthesis, Bentham Science Publishers Ltd., Vol. 17, No. 2 ( 2020-05-08), p. 151-159
Abstract:
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 in vitro.
Type of Medium:
Online Resource
ISSN:
1570-1794
DOI:
10.2174/1570179417666191220100614
Language:
English
Publisher:
Bentham Science Publishers Ltd.
Publication Date:
2020
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