Geometry optimization, impact of solvation on the spectral (FT-IR, UV, NMR) analysis, Quantum chemical parameters, and the bioactivity of feruloyltyramine as a potential anti-Lassa virus agent via molecular docking

The unrelenting menace of the Lassa virus, characterized by its high mortality rate and the potential for global dissemination, underscores an urgent call for its comprehensive eradication to safeguard global public health. In light of this, this research embarked on an extensive investigation of tr...

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發表在:	Chemical Physics Impact
Main Authors:	Antai E. Eyo, Gulack A. Obadiah, Innocent Benjamin, Uwem O. Edet, Faith O. Akor, Elizabeth Mbim, Ani Nkang, Ibor Richard, Emmanuel Emmanuel, Oluwadamilola V. Ayoola, Godwin Joshua, Hitler Louis
格式:	Article
語言:	英语
出版:	Elsevier 2023-12-01
主題:	Trans-N-feruloyltyramine Spectroscopy Lassa virus DFT Solvation dynamic simulation Molecular docking
在線閱讀:	http://www.sciencedirect.com/science/article/pii/S2667022423001779