Quantum mechanical, spectroscopic and docking studies of (2E)-1-(4-aminophenyl)-3-(4-benzyloxyphenyl)-prop-2-en-1-one Chalcone derivative by density functional theory – A prospective respiratory drug

Theoretical investigations on the molecular geometry, vibrational and electronic environment of (2E)-1-(4-aminophenyl)-3-(4-benzyloxyphenyl)-prop-2-en-1-one (APBPP) are presented for the first time. The vibration frequencies simulated were thoroughly analysed employing DFT/B3LYP using 6-311++G(d,p)...

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Detalles Bibliográficos
Autores principales: Hannah Clara, T., Muthu, S., Christian Prasana, Johanan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7643630/
https://www.ncbi.nlm.nih.gov/pubmed/33173755
http://dx.doi.org/10.1016/j.matpr.2020.08.804

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7643630/
https://www.ncbi.nlm.nih.gov/pubmed/33173755
http://dx.doi.org/10.1016/j.matpr.2020.08.804

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