Unraveling the impact of polar solvation on the molecular geometry, spectroscopy (FT-IR, UV, NMR), reactivity (ELF, NBO, HOMO-LUMO) and antiviral inhibitory potential of Cissampeline by molecular docking approach

Unraveling the impact of polar solvation on the molecular geometry, spectroscopy (FT-IR, UV, NMR), reactivity (ELF, NBO, HOMO-LUMO) and antiviral inhibitory potential of Cissampeline by molecular docking approach

Cissampeline, a highly promising natural substance derived from medicinal plants of the Cissampelos genus, has recently garnered significant interest due to its potent antiviral properties against a broad spectrum of viral infections. In this comprehensive study, we employed gd3bj-B3LYP/def2svp leve...

Full description

Bibliographic Details
Main Authors: Michael O. Odey, Ekpo E. Antai, Eze A. Adindu, Obinna C. Godfrey, Ini U. Bassey, Fransica O. Nwaokolrie, Ayodeji Owolabi, Ani Nkang, Terkumbur E. Gber, Moses M. Edim, Hitler Louis
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Chemical Physics Impact
Subjects:
Cissampeline
Antiviral inhibitory
Polar solvation
Molecular docking
Spectroscopy
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423001858

Internet

http://www.sciencedirect.com/science/article/pii/S2667022423001858

Similar Items