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...

Disgrifiad llawn

Manylion Llyfryddiaeth

Prif Awduron:	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
Fformat:	Artigo
Iaith:	Inglês
Cyhoeddwyd:	Elsevier 2023-12-01
Cyfres:	Chemical Physics Impact
Pynciau:	Cissampeline Antiviral inhibitory Polar solvation Molecular docking Spectroscopy
Mynediad Ar-lein:	http://www.sciencedirect.com/science/article/pii/S2667022423001858
Tagiau:	Ychwanegu Tag Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!