Molecular properties and In silico bioactivity evaluation of (4-fluorophenyl)[5)-3-phen-(4-nitrophenyl yl-4,5-dihydro-1H-pyrazol-1-yl]methanone derivatives: DFT and molecular docking approaches

OBJECTIVES: Molecular structures, spectroscopic properties, charge distributions, frontier orbital energies, nonlinear optical (NLO) properties and molecular docking simulations were analyzed to examine the bio-usefulness of a series of (4-fluorophenyl)[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyra...

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Detalles Bibliográficos
Autores principales: Omotayo, Ibrahim A., Banjo, Semire, Emmanuel, Oladuji T., Felix, Latona D., Kolawole, Oyebamiji A., Dele, Owonikoko A., Olasegun, Abdulsalami I., Dasola, Adeoye M., Ayobami, Odunola O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Taibah University 2023
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10267600/
https://www.ncbi.nlm.nih.gov/pubmed/37324403
http://dx.doi.org/10.1016/j.jtumed.2023.05.011

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