Synthesis, Crystallographic, Quantum Chemical, Antitumor, and Molecular Docking/Dynamic Studies of 4-Hydroxycoumarin-Neurotransmitter Derivatives

Synthesis, Crystallographic, Quantum Chemical, Antitumor, and Molecular Docking/Dynamic Studies of 4-Hydroxycoumarin-Neurotransmitter Derivatives

In this contribution, four new compounds synthesized from 4-hydroxycoumarin and tyramine/octopamine/norepinephrine/3-methoxytyramine are characterized spectroscopically (IR and NMR), chromatographically (UHPLC-DAD), and structurally at the B3LYP/6-311++G*(d,p) level of theory. The crystal structure...

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Bibliographic Details
Main Authors: Dušan S. Dimić, Goran N. Kaluđerović, Edina H. Avdović, Dejan A. Milenković, Marko N. Živanović, Ivan Potočňák, Erika Samoľová, Milena S. Dimitrijević, Luciano Saso, Zoran S. Marković, Jasmina M. Dimitrić Marković
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:International Journal of Molecular Sciences
Subjects:
coumarin
neurotransmitter
molecular docking
molecular dynamics
DFT
X-ray crystallography
Online Access:https://www.mdpi.com/1422-0067/23/2/1001

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https://www.mdpi.com/1422-0067/23/2/1001

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