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Synthesis, Spectral, DFT, Molecular Docking and Admet Properties of Dibenzyloxy Chalcones | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X
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Abstract

Synthesis, Spectral, DFT, Molecular Docking and Admet Properties of Dibenzyloxy Chalcones

Author(s): S. Prabha*

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 calculated 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.


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