SYNTHESIS, MOLECULAR DOCKING, SAR AND BIOLOGICAL ACTIVITIES OF NOVEL THIAZOLIDINE-4-ONE-PYRAZOLE HYBRIDS
AbstractA series of novel thiazolidine-4-one-pyrazole hybrids (4a-4j) had been synthesized by Claisen-Schmidt condensation, Schiff’s base, and Cyclization mechanism. The newly synthesized target molecule structures were confirmed by IR, 1H NMR and Mass spectral data. The synthesized hybrids were screened for in-vitro anticancer and anthelmintic activities. The anticancer activity was assessed using MTT assay against MCF7 and SKVO3 cell lines and Doxorubicin as the reference standard. Anthelmintic activity of compounds was studied by using Albendazole as standard. Most synthesized hybrids (4j, 4h, 4b) showed good anticancer and anthelmintic activities. The molecular docking studies were performed using the Ligprep tool of the Schrodinger suite. This study revealed that novel thiazolidne-4-one-pyrazole hybrids (4a-4j) had good interaction with the active site of EGFR receptor. The compound 4j reported the highest dock score of -4.229 with a Glide binding energy of -52.98 Kcal/mol. The pyrazole hybrids’ dock score ranged from -4.229 to -2.19 Kcal/mol.
Article Information
30
3942-3951
1101 KB
269
English
IJPSR
N. Prasanna Lakshmi * and M. Ajitha
Department of Pharmaceutical Chemistry, Sri Venkateshwara College of Pharmacy, Hyderabad, Telangana, India.
lucky6prasanna@gmail.com
23 November 2022
07 February 2023
27 May 2023
10.13040/IJPSR.0975-8232.14(8).3942-51
01 August 2023
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