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...
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 |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2023-12-01
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Series: | Chemical Physics Impact |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022423001858 |
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