Synthesis of Pyrazolone Derivatives and Their Nanometer Ag(I) Complexes and Physicochemical, DNA Binding, Antitumor, and Theoretical Implementations

Abstract

Four pyrazolone derivatives and their corresponding silver complexes were synthesized and characterized. Based on elemental analysis, 1 : 2 (M : L) molar ratio was suggested for all inspected complexes. 1H, 13C NMR, mass, UV-Vis, TGA, and IR were the spectral tools used for describing the formulae. Moreover, XRD patterns and SEM pictures were used to evaluate the particle sizes which appeared strongly in nanometer range. CT-DNA study is the major consideration in this study, to test the interacting ability of all synthesized cationic complexes towards cell DNA. Each binding constant was computed and correlated with the Hammett sigma constant. Antitumor activity was examined upon three carcinoma cell lines (MCF-7, HepG2, and HCT116). The high efficiency was recorded towards MCF-7 (breast carcinoma) cell line. Kinetic studies yield essential parameters to assert on the rule of metal atom on thermal feature of organic compounds. Molecular modeling was implemented to optimize the structures of compounds. Also, molecular docking was achieved to obtain a clear view about proposed drug behavior within the affected cells. This was achieved through comparing the calculated internal energy values of all docking complexes. All the tested compounds displayed a significant interaction with breast cancer protein (strong matching with practical result) followed by DNA polymerase protein.

Metalo components exhibiting significant anticancer and antibacterial properties: a novel sandwich-type like polymeric structure

“…A significant number of studies have focused on the synthesis and design of a new antiproliferative agent to reduce the risk of drug resistance and cell toxicity 2 – 4 . Some of these studies are related to metallo compounds which constitute a significant part of agents with potent pharmacological activities, and their medicinal availability has been still explored 5 , 6 . For example, some macrocyclic polyamines containing Ni, Cu, and Ru could recognize TAR RNA molecules and cleave them, and affect the interaction of Tat-RNA 7 .…”

Characterization of new Co(II) complexes and photographic monitoring for their toxic impact on breast cancer cells according to simulation study

“…[11] Also, ligands rich in nitrogen atoms display important roles in inhibition of cancer diseases due to their ability to interact with DNA. [12][13][14] Already the previous researches concerning the treatment of breast cancer have evaluated the magnitude of challenges that need extensive work to develop more effective therapeutic compounds. Accordingly, we aimed to synthesize and characterize novel series of nitrogen-rich Co(II) complexes.…”

New Series of Thiazole Derivatives: Synthesis, Structural Elucidation, Antimicrobial Activity, Molecular Modeling and MOE Docking

“…Also, as a result of persistent microbial resistance to antibiotics, chemical and pharmaceutical researchers are constantly seeking to discover and synthesize alternatives to known antibiotics. Thus, from viewpoint of the promising antimicrobial activity of thiazoles and in continuation to our efforts concerning the synthesis of bioactive heterocyclic compounds [18,19,20,21,22,23,24], herein, we aimed to synthesize a new series of compounds having more than one thiazole ring. This was executed via the reaction of 2-bromo-1-(4-methyl-2-(methylamino)thiazol-5-yl)ethan-1-one with different heterocyclic amines and thiosemicarbazones.…”