Crystal structure, DFT, molecular docking and dynamics simulation studies of 4,4-dimethoxychalcone

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...

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Bibliographic Details
Main Authors:	M.V. Yashwanth Gowda, B.L. Vinay, N. Maitra, S.R. Kumaraswamy, N.K. Lokanath
Format:	Article
Language:	English
Published:	Growing Science 2023-01-01
Series:	Current Chemistry Letters
Online Access:	http://www.growingscience.com/ccl/Vol12/ccl_2023_14.pdf

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