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-Reference-Cited by-同舟云学术

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

Published:2023-12 Issue: Volume:7 Page:100346
ISSN:2667-0224
Container-title:Chemical Physics Impact
language:en
Short-container-title:Chemical Physics Impact

Author:

Odey Michael O.,Antai Ekpo E.,Adindu Eze A.,Godfrey Obinna C.,Bassey Ini U.,Nwaokolrie Fransica O.,Owolabi Ayodeji,Nkang Ani,Gber Terkumbur E.^ORCID,Edim Moses M.,Louis Hitler

Funder

Tertiary Education Trust Fund

Fonds National de la Recherche Luxembourg

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Physics and Astronomy (miscellaneous),Condensed Matter Physics,Materials Science (miscellaneous),Biochemistry,Atomic and Molecular Physics, and Optics,Biophysics,Electronic, Optical and Magnetic Materials

Reference78 articles.

1. Lassa fever: an emerging and re-emerging fatal viral disease of public health concern;Pal;Am. J. Public Health,2022

2. Hemorrhagic fever virus-induced changes in hemostasis and vascular biology;Chen;Blood Coagul. Fibrinoly.,2000

3. Lassa fever: epidemiology, clinical features, and social consequences;Richmond;BMJ,2003

4. Lassa fever in West Africa: evidence for an expanded region of endemicity;Sogoba;Zoonoses Public Health,2012

5. Lassa fever and COVID-19 in Africa: a double crisis on the fragile health system;Hasan;J. Med. Virol.,2021

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Synthesis, experimental and theoretical spectroscopic electronic elucidation along with biological assessment and molecular docking studies on 2-(3-(1,4-diazepan-1-yl)propyl)isoindoline-1,3-dione − Antidepressant drug;Journal of Molecular Liquids;2024-09

2. Computational insights of 1-Guanidinosuccinimide and Benzene-ethanamine, 2,5-difluoro-β- 3,4-trihydroxy-n-methyl with MDM2 as Potential Anticancer Agent;2024-07-31

3. The Effects of Khat Chewing among Djiboutians: Dental Chemical Studies, Gingival Histopathological Analyses and Bioinformatics Approaches;Bioengineering;2024-07-15

4. Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules;Scientific Data;2024-07-07

5. Anticorrosion studies of 5-acetyl-4-(3-methoxyphenyl)-6-methyl-1-phenyl-3,4-dihydropyrimidin-2(1H)-one: approach from experimental, DFT studies, and MD simulation;Zeitschrift für Physikalische Chemie;2023-12-06