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

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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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-03-21
DOI
https://doi.org/10.5281/zenodo.17483813
Primary Topic
Nonlinear Optical Materials Research
Type
article
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article

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

Zenodo (CERN European Organization for Nuclear Research)
Nonlinear Optical Materials Research
article

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

article en

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 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

Zenodo (CERN European Organization for Nuclear Research)
Centre for Rural Education and Economic Development (IN)
Affordable and clean energy
Openalex Percentile: Top 60%
Nonlinear Optical Materials Research
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Synthesis, Spectral, DFT, Molecular Docking and Admet Properties of Dibenzyloxy Chalcones · Zenodo (CERN European Organization for Nuclear Research) (2025) | TGRS Research Map | TGRS