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

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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Bibliographic Details
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
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Chemical Physics Impact
Subjects:
Trans-N-feruloyltyramine
Spectroscopy
Lassa virus
DFT
Solvation dynamic simulation
Molecular docking
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423001779

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http://www.sciencedirect.com/science/article/pii/S2667022423001779

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