2026-05-17T05:43:34Zhttps://repisalud.isciii.es/rest/oai/request

oai:repisalud.isciii.es:20.500.12105/230042024-11-29T06:04:10Zcom_20.500.12105_15322com_20.500.12105_2051col_20.500.12105_16967

00925njm 22002777a 4500 dc Ashok, Ubale Panchsheela author Kollur, Shiva Prasad author Anil, Nishad author Arun, Bansode Prakash author Jadhav, Sanjay Namdev author Sarsamkar, Sanjay author Helavi, Vasant Baburao author Srinivasan, Asha author Kaulage, Sandeep author Veerapur, Ravindra author Al-Rashed, Sarah author Syed, Asad author Ortega-Castro, Joaquin author Frau, Juan author Flores-Holguin, Norma author Glossman-Mitnik, Daniel author 2020-12 Herein, we report the synthesis and characterization of a new Schiff base ligand 3-[[(E)-(3-hydroxyphenyl)-methylidene]amino]-2-methyl-quinazolin-4(3H)-one (HAMQ) and its Cd(II), Ni(II), Zn(II), and Cu(II) complexes (C-1-C-4). The ligand HAMQ was synthesized by reacting 3-hydroxybenzaldehyde and 3-amino-2-methyl-4(3H)-quinazolinone in a 1:1 molar ratio. The structure of the ligand and its complexes (C-1-C-4) were evaluated using ultraviolet (UV)-visible (Vis) light spectroscopy, H-1-NMR, Fourier-transform infrared (FT-IR) spectroscopy, MS, elemental analysis, conductance data, and thermogravimetric analysis (TGA). The characterization results suggested that the bidentate ligand, HAMQ, coordinated to the metal center through the lactum oxygen and the azomethine nitrogen. Moreover, all the metal complexes were analyzed using powder X-ray diffraction studies, which revealed that all of them belong to a triclinic crystal system. The research was supplemented by density functional theory (DFT) studies on the IR and UV-Vis spectra, as well as the chemical reactivity of the HAMQ and its four metallic derivatives making use of conceptual density functional theory (CDFT) by means of KID (Koopmans in DFT) methodology. The synthesized complexes displayed significant in vitro anticancer activity against human cancer cell lines (HeLa and HCT-115). Ashok UP, Kollur SP, Anil N, Arun BP, Jadhav SN, Sarsamkar S, et al. Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3H)-Quinazolinone-Derived Schiff Base. Molecules. 2020 Dec;25(24):5973. 10.3390/molecules25245973 1420-3049 Molecules https://hdl.handle.net/20.500.13003/19764 33339433 L633848289 2-s2.0-85098745074 https://hdl.handle.net/20.500.12105/23004 603247400001 3-quinolin-4(3H)-one Metal complexes Spectral studies Chemical reactivity properties Conceptual DFT Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3H)-Quinazolinone-Derived Schiff Base