Crystal structure, DFT, molecular docking and dynamics simulation studies of 4,4-dimethoxychalcone
In the current study, the compound 4,4-dimethoxychalcone (DMC) was structurally studied and analyzed by in silico approach against Mpro to investigate its inhibitory potential. The molecular structure of the compound was confirmed by the single crystal X-ray diffraction studies. The crystal...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Growing Science
2023-01-01
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| Series: | Current Chemistry Letters |
| Online Access: | http://www.growingscience.com/ccl/Vol12/ccl_2023_14.pdf |