In‐vitro Anticancer and Molecular Docking Studies of 4‐Azaindole‐1,2,4‐Oxadiazole Hybrids
Ravikumar Reddy Sagam, Satheesh Kumar Nukala, Rajkumar Nagavath, Sirassu Narsimha, Prasad Gundepaka, Ravinder Manchal, Narasimha Swamy Thirukovela
Abstract
Abstract The synthesis of some novel 4‐azaindole‐1,2,4‐oxadiazole hybrids ( 5 a–5 q ) from the reaction between 1H‐pyrrolo[3,2‐b]pyridine‐3‐carbonitrile and readily available aromatic carboxylic acids using was described herein. All these hybrids were evaluated for their in vitro anticancer activity against three human cancer cell lines namely A375 (melanoma), MCF7 (breast) and A549 (lung) using MTT assay and outcomes revealed that three compounds like 5 c , 5 f and 5 m displayed superior inhibitory activities against all the cell lines than the standard. In those, predominantly, the compound 5 m showed outstanding activity in MCF‐7 cell line possessing IC 50 values 0.48 μM. In addition, the in silico studies of three potent compounds 5 c , 5 f and 5 m were carried out to identify the interactions against EGFR receptor and found that the energy calculations were in good agreement with the obtained IC 50 values. Furthermore, the compounds 5 c , 5 f and 5 m exhibited promising inhibitory activity against tyrosine kinase EGFR. Among them, the compounds 5 f and 5 m displayed superior activity against tyrosine kinase EGFR when compared with the standard Erlotinib.