SYNTHESIS, SPECTRAL, DFT, MOLECULAR DOCKING AND ADMET PROPERTIES OF DIBENZYLOXY CHALCONES

Dr. S. Prabha

Abstract: Present article has included the preparation of unsubstitted, p-methoxy and p-nitro substituted dibenzxyloxy chalcones (1-3) with the help of ultrasonic energy. The formation of chalcones was confirmed by their spectral data. The DFT analyses of chalcones (1-3) were done and the dcalculated values are compared with literature values. Further, molecular docking with Sars-Cov-2 (pdb id : 6w63) for all chalcones (1-3) were performed and the results are compared. The pre-ADMET properties, drug-likeness and toxicity parameters are observed and discussed.  
Keywords: Chalcones; UV, IR and NMR spectra; DFT analysis; Molecular docking; ADMET property