Exploring flexibility, intermolecular interactions and ADMET profiles of anti-influenza agent isorhapontigenin: A quantum chemical and molecular docking study

Isorhapontigenin (IRPG) drug emerges as promising efficient inhibitor for H1N1 and H3N2 subtypes which belong to influenza A virus; reported with IC(50) value of 35.62 and 63.50 μM respectively. When experimental data are compared to the predicted geometrical parameters and vibrational assignments (...

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Detalles Bibliográficos
Autores principales: Bangaru, Sathya, Madhu, Govindammal, Srinivasan, M., Manivannan, Prasath
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9418217/
https://www.ncbi.nlm.nih.gov/pubmed/36039137
http://dx.doi.org/10.1016/j.heliyon.2022.e10122

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9418217/
https://www.ncbi.nlm.nih.gov/pubmed/36039137
http://dx.doi.org/10.1016/j.heliyon.2022.e10122

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