Design and Synthesis of Oxazole‐Linked Pyrazole Chalcone Derivatives: In‐Vitro Anticancer Evaluation and In‐Silico Molecular Docking Studies
Singamsetty Rangaswamy, Reddymasu Sreenivasulu, Mandava Bhuvan Tej, Vankayala Ramesh Babu, Ravikumar Kapavarapu, V D N Kumar Abbaraju
Abstract
Abstract A new series of oxazole linked pyrazole chalcone derivatives ( 9 a – j ) has been developed, prepared and tested for in vitro anticancer activity against SiHa, A549, MCF‐7, and Colo‐205 cancer cell lines with etoposide employed as a positive control. The IC 50 values of the synthesized compounds vary from 0.01±0.0081 μM to 11.6±6.10 μM, while the IC 50 values of the positive control range from 0.14±0.017 μM to 3.11±0.11 μM, respectively. Six compounds such as 9 a , 9 b , 9 c , 9 d , 9 i , and 9 j have showed more potent activity than the others. Based on the docking simulations conducted on Human Topoisomerase II, it is evident that compounds 9 a , 9 b , 9 c , and 9 d exhibited superior binding affinity and interaction profiles compared to other compounds analyzed in this in silico study.