Number of the records: 1
New bipyrazolic compounds: synthesis, characterization, antibacterial activity and computational studies
- 1.0505134 - FZÚ 2020 RIV NL eng J - Journal Article
Harit, T. - Dahmani, M. - Gaamouche, S. - Malek, F. - Dušek, Michal - Manseri, A. - Asehraou, A. - El Bali, B.
New bipyrazolic compounds: synthesis, characterization, antibacterial activity and computational studies.
Journal of Molecular Structure. Roč. 1176, Jan (2019), s. 110-116. ISSN 0022-2860. E-ISSN 1872-8014
R&D Projects: GA MŠMT(CZ) LO1603; GA ČR(CZ) GA14-03276S
EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510
Institutional support: RVO:68378271
Keywords : antibacterial activity * crystal structure * DFT calculation * pyrazole * spectroscopy
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.463, year: 2019
Method of publishing: Limited access
https://doi.org/10.1016/j.molstruc.2018.08.073
The synthesis and characterization of new functionalized bipyrazolic compounds were reported. The antibacterial activity against two Gram positive and two Gram negative bacteria was also investigated. Quantum calculations using DFT method have been performed to determine the structure activity relationship (SAR). The molecular electrostatic potential surface (MEPS) evidenced the favorable effect of the presence of an electrophilic site in enhancing the antibacterial activity of such compounds.
Permanent Link: http://hdl.handle.net/11104/0296641
Number of the records: 1