Journal of Molecular Structure p. 255 - 268 (2019)
Update date:2022-08-16
Topics:
Filali Baba, Yassir
Sert, Yusuf
Kandri Rodi, Youssef
Hayani, Sonia
Mague, Joel T.
Prim, Damien
Marrot, Jerome
Ouazzani Chahdi, Fouad
Sebbar, Nada Kheira
Essassi, El Mokhtar
A series of hydroquinolines derivatives (2a-2c) have been achieved by a cyclocondensation reaction. The synthesis of 2-oxo ?1,2-dihydroquinoline-4-carboxylic acid derivatives (3a-3c) has been carried out using alkylation reactions under phase transfer catalysis (PTC) conditions. The prepared products were characterized through spectroscopic NMR 1H and 13C, IR and single crystal X-ray diffraction techniques. 2D and 3D Hirshfeld surfaces (for 3a and 3b) studies were realized to understand non-bonding intermolecular interactions in solid phase crystal packing of the compound. With the optimized structures, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies and clouds were obtained and evaluated. Good agreement was found between the calculated results and experimental data. Furthermore, the molecular docking study is performed to investigate binding patterns of the synthesized molecules (3a and 3b) into 1M17 inhibitor using Auto-Dock Vina program. The antioxidant activity of compounds (3a-3c) has been evaluated using DPPH free radical scavenging, ferric reducing (FRAP) power and β-carotene kinetic blanching assays. Both DPPH and FRAP methods confirmed that 3b had the best antioxidant activity followed by 3c. On the other hand, β-carotene bleaching assay showed the high activity of the product 3a.
View MoreZhejiang Chemicals Import & Export Corporation
Contact:86-571-87043088
Address:No.37,Qingchun Road,Hangzhou,China
Nanjing distinctions Medical Technology Co., Ltd.
Contact:+86-15996203785 13914714059
Address:nanjing,jiangsu , China
Yingkou Sanzheng Organic Chemical Co. Ltd.
Contact:+86-417-3638818
Address:25 Gengxinli Village, Daqing Road, Yingkou, Liaoning, China
Jingzhou TianHe Sci&Tech Chemical Co., Ltd.
Contact:86-716-8331612
Address:Jiangjin Road, #18, High-grade technology industries development district, Jingzhou city, Hubei province
Henan Yellow River New Material Technology Co.Ltd.
website:http://www.yellowriverchem.com
Contact:0086-373-7278760
Address:Chengguan Town, Yuanyang County
Doi:10.1039/jr9320000483
(1932)Doi:10.1021/tx500120p
(2014)Doi:10.1016/j.tetlet.2016.06.119
(2016)Doi:10.1016/j.cattod.2013.09.059
(2014)Doi:10.1134/S1070363212010124
(2012)Doi:10.1039/b003671o
(2001)