1University Institute of Pharmaceutical Sciences, Chandigarh University, Gharuan, Mohali, Punjab, India
2Department of Pharmaceutical Chemistry, Amar Shaheed Baba Ajit Singh Jujhar Singh Memorial, College of Pharmacy, Bela, Ropar, Punjab, India
3Indian Institute of Technology, Ropar, Punjab, India
*Corresponding Author E-mail: divya.pharma@cumail.in
Online published on 1 March, 2023.
A total of 18 derivatives S(1-18) of naphthoic acid linked Imidazo[2,1-b][1,3,4]thiadiazole were synthesized and tested for their anticancer potential at human cancer cell line A - 549. The interaction of the proposed derivatives with the colchicine binding domains of the receptor was also performed using Maestro 10.5 program (Schrodinger Inc. USA). Molecular docking study was performed for synthesized compounds displaying a significant inhibitory activity in order to validate their binding mode to active site. All the 18 inhibitors were docked into the active site of the receptor in two poses. The G-scores and binding energy for compound S4, S10, S12, S13 and S16 were observed to be comparable to the standard Colchicine. The compound S1, S5, S10, S12 and S16 exhibited prominent inhibition of cancer cell line.
Naphthoic acid, Anticancer, Docking, Colchicine, Receptor
