Synthesis, crystallographic, quantum chemical, antitumor, and molecular docking/dynamic studies of 4-hydroxycoumarin-neurotransmitter derivatives

0556041 - FZÚ 2023 RIV CH eng J - Journal Article
Dimic, D.S. - Kaluderović, G. N. - Avdovic, E.H. - Milenkovic, D.A. - Živanovic, M.N. - Potočňák, I. - Samoľová, Erika - Dimitrijević, M.S. - Saso, L. - Marković, Z.S. - Dimitrić Marković, J.M.
Synthesis, crystallographic, quantum chemical, antitumor, and molecular docking/dynamic studies of 4-hydroxycoumarin-neurotransmitter derivatives.
International Journal of Molecular Sciences. Roč. 23, č. 2 (2022), č. článku 1001. E-ISSN 1422-0067
R&D Projects: GA MŠMT(CZ) LO1603
EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510
Institutional support: RVO:68378271
Keywords : Coumarin * neurotransmitter * molecular docking * molecular dynamics * DFT * X-ray crystallography
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 5.6, year: 2022
Method of publishing: Open access

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.
Permanent Link: http://hdl.handle.net/11104/0330413