Cargando…
Modeling of Re(I) tricarbonyl complexes against SARS-CoV-2 receptor via DFT, in-silico molecular docking, and QSAR
The quest for potential antiviral drug for the ongoing SARS-CoV-2 pandemic has posed a serious challenge to the scientific community. While several potential drugs have been proposed from organic molecular perspective, the uses of 3D metal complexes of bipyridine ligand have been recently proven to...
Autores principales: | Eno, Ededet A., Louis, Hitler, Unimuke, Tomsmith O., Gber, Terkumbur E., Akpanke, Josephat A., Amodu, Ismail O., Manicum, Amanda-Lee E., Offiong, Offiong E. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Authors. Published by Elsevier B.V.
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9400373/ http://dx.doi.org/10.1016/j.chphi.2022.100105 |
Ejemplares similares
-
Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H(2)S gas
por: Louis, Hitler, et al.
Publicado: (2022) -
Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction
por: Louis, Hitler, et al.
Publicado: (2022) -
Meta-Hybrid Density Functional Theory Prediction of
the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane,
and Halogenated Cycloheptane
por: Unimuke, Tomsmith O., et al.
Publicado: (2022) -
Anticancer Activities of Re(I) Tricarbonyl and Its
Imidazole-Based Ligands: Insight from a Theoretical Approach
por: Matlou, Mabu L., et al.
Publicado: (2023) -
Synthesis, characterization, and theoretical studies of the photovoltaic properties of novel reactive azonitrobenzaldehyde derivatives
por: Louis, Hitler, et al.
Publicado: (2021)