Abstract
A series of perimidine derivatives (L1–5) were prepared and characterized by IR, 1H·NMR, mass spectroscopy, UV-Vis, XRD, thermal, and SEM analysis. Five VO(II) complexes were synthesized and investigated by most previous tools besides the theoretical usage. A neutral tetradentate mode of bonding is the general approach for all binding ligands towards bi-vanadyl atoms. A square-pyramidal is the configuration proposed for all complexes. XRD analysis introduces the nanocrystalline nature of the ligand while the amorphous appearance of its metal ion complexes. The rocky shape is the observable surface morphology from SEM images. Thermal analysis verifies the presence of water of crystallization with all coordination spheres. The optimization process was accomplished using the Gaussian 09 software by different methods. The most stable configurations were extracted and displayed. Essential parameters were computed based on frontier energy gaps with all compounds. QSAR parameters were also obtained to give another side of view about the biological approach with the priority of the L3 ligand. Applying AutoDockTools 4.2 program over all perimidine derivatives introduces efficiency against 4c3p protein of breast cancer. Antitumor activity was screened for all compounds by a comparative view over breast, colon, and liver carcinoma cell lines. IC50 values represent promising efficiency of the L4-VO(II) complex against breast, colon, and liver carcinoma cell lines. The binding efficiency of ligands towards CT-DNA was tested. Binding constant (K b) values are in agreement with the electron-drawing character of the p-substituent which offers high K b values. Also, variable Hammett's relations were drawn.
Highlights
Vanadium was widely used as a therapeutic agent in the late eighteenth century, treating a variety of ailments including anemia, tuberculosis, rheumatism, and diabetes [1, 2]
Vanadium compounds have been extensively studied for their diverse biological activities such as antitumor, antibacterial, and insulinenhancing effects and potential capabilities as DNA structural probes [3, 4]. e coordination chemistry of oxovanadium is highly ligand dependent and more important in biological systems [5] as well as catalytic systems [6, 7]
Conclusion is paper presents new VO(II) complexes derived from a series of perimidine ligands. is study focuses on the effect of substituents on the chemistry and applicability of complexes
Summary
Vanadium was widely used as a therapeutic agent in the late eighteenth century, treating a variety of ailments including anemia, tuberculosis, rheumatism, and diabetes [1, 2]. Vanadium compounds exhibit various biological and physiological effects in the human body. Vanadium compounds have been extensively studied for their diverse biological activities such as antitumor, antibacterial, and insulinenhancing effects and potential capabilities as DNA structural probes [3, 4]. It is noticeable that complexation of vanadium with organic ligands minimizes unfavorable effects of its inorganic salts such as vanadyl sulfate while even maintains its potential benefits [14]. Mimicking the biological activities in natural systems can be achieved by vanadium complexes which contain oxygen and nitrogen donor ligands; so identification of the structure of these complexes is regarded important [15,16,17]. Bioinorganic chemistry is a fast developing field of modern chemistry that uses Schiff bases and their transition metal complexes for a variety of applications, e.g., in biological, medical, and environmental sciences. Antitumor activity will be scanned over all new prepared compounds for comparison
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