Exo⇔Endo Isomerism, MEP/DFT, XRD/HSA-Interactions of 2,5-Dimethoxybenzaldehyde: Thermal, 1BNA-Docking, Optical, and TD-DFT Studies

The exo⇔endo isomerization of 2,5-dimethoxybenzaldehyde was theoretically studied by density functional theory (DFT) to examine its favored conformers via sp(2)–sp(2) single rotation. Both isomers were docked against 1BNA DNA to elucidate their binding ability, and the DFT-computed structural parame...

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Detalles Bibliográficos
Autores principales: Al-Zaqri, Nabil, Suleiman, Mohammed, Al-Ali, Anas, Alkanad, Khaled, Kumara, Karthik, Lokanath, Neartur K., Zarrouk, Abdelkader, Alsalme, Ali, Alharthi, Fahad A., Al-Taleb, Afnan, Alsyahi, Amjad, Warad, Ismail
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7767059/
https://www.ncbi.nlm.nih.gov/pubmed/33339423
http://dx.doi.org/10.3390/molecules25245970

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7767059/
https://www.ncbi.nlm.nih.gov/pubmed/33339423
http://dx.doi.org/10.3390/molecules25245970

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