Background/aim: The rising challenge of microbial resistance necessitates the development of novel therapeutic agents. This study aims to synthesize, characterize, and evaluate the antimicrobial potential of a new series of mixed-ligand metal complexes (ZnII, CuII, NiII, and MnII) derived from a p-hydroxybenzaldehyde-4-aminoantipyrine Schiff base and 2,2′-bipyridine, in addition to assessing the binding affinity and pharmacokinetic properties of the synthesized free Schiff base ligand through molecular docking and ADME profiling. Methods: The Schiff base ligand and its transition metal complexes were synthesized and subsequently characterized using single-crystal X-ray diffraction, elemental analysis, FTIR, UV–Vis spectroscopy, NMR, magnetic susceptibility, and molar conductance. In vitro antimicrobial efficacy was tested against Gram-positive (S. aureus, B. cereus) and Gram-negative (P. mirabilis, K. pneumoniae) bacteria, and C. albicans. Computational molecular docking of the ligand against the target protein (PDB ID: 1HNJ) and SwissADME analysis were performed to evaluate its binding affinity and pharmacokinetics. Results: All synthesized complexes demonstrated significant antimicrobial activity compared to the free ligand. Specifically, Cu(II) and Zn(II) complexes emerged as the most potent agents, exhibiting the highest inhibition zones due to their enhanced lipophilicity. Molecular docking results corroborated the experimental findings, with the ligand showing a strong binding affinity of -7.08 kcal/mol. ADME studies confirmed favorable drug-likeness and membrane permeability for the free ligand. Conclusion: The study successfully developed potent mixed-ligand metal complexes with promising antimicrobial properties. Furthermore, computational studies confirmed that the free ligand possesses strong binding affinity and an excellent pharmacokinetic profile, providing a solid foundation for further development of effective metallo-drugs.
New complexes have been prepared from the new ligand [N1,N5-bis(3-hydroxyphenyl)-2- oxopentanediamide] derived from 2-Oxoglutaric acid and 3-aminophenol. Accordingly its binudear Mn(II),Co(II),Ni(II),Pd(II) and VO(II) complexes were prepared.. These compounds have been characterized by FT-IR, UV-Vis,Mass, 1H-NMR spectra, TGA curve, Chloride containing ,Molar conductance and atomic absorption. The characterization results gave binuclear complexes and pentadentate coordination and tetrahedral geometry for each Cobalt, Nickel, Manganese and Copper complexes otherwise Palladium complex gave a square planar geometry and Vanadium complex gave a square pyramidal geometry and the ligand is tetradentate. The biological activities for the new compoun
... Show More3-(4-hydroxyphenyl)-2-(3-(4-nitrobenzoyl) thioureido) propanoic acid (HNP) a new ligand was synthesized by reaction of Tyrosine with (4-Nitrobenzoyl isothiocyanate) by using acetone as a solvent. The prepared ligand (HNP) has been characterized by elemental analysis (CHNS), infrared (FT-IR), electronic spectral (Ultraviolet visible) and(1H,13C-Nuclear Magnetic Resonance) spectra. Some Divalent metal ion complexes of (HNP) were prepared and spectroscopic studies by Fourier transform infrared (FTIR), electronic spectral(UV-Vis), molar conductance, magnetic susceptibility and atomic absorption. The results measured showed the formula of six prepared complexes were [M (HNP)2] (M+2 = Manganese, Cobalt, Nickel, Znic, Cadmium and Mercury),from the
... Show MoreIn this work, of New Ligand [(E)-5-hydroxy-4-(3-(4-methoxy phenyl) acryl amido) naphthalene -1- sulfonic acid] (ANS) was prepared by reflexing reaction of 4-amino-5-hydroxy naphthalene sulfonic acid with para methoxy cinnamic acid, this produced and described chemical was employed as ligand to prepare tri and di-organotin complexes by condensation reaction with the salts of organotin chloride (phenyl, butyl, and methyl tin chloride). Specialized methods, including elemental analysis, (tin and proton) magnetic resonance, and infrared spectra, were used to identify the complexes. DPPH (2,2-diphenyl-1-picrylhydrazyl) and CUPRAC (Cupric Reducing Antioxidant Capacity) are both commonly used methods for measuring antioxidant capacity in v
... Show MoreIn this study new derivatives of O-[2-{''2-Substituted Aryl (''1,''3,''4 thiadiazolyl) ['3,'4-b]-'1,'2,'4- Triazolyl]-Ethyl]-p- chlorobenzald oxime (6-11)have been synthesized from the starting material p-chloro – E- benzaldoxime 1.Compound 2 was synthesized by the reaction of p-chloro – E- benzaldoxime with ethyl acrylate in basic medium. Refluxing compound 2 with hydrazine hydrate in ethanol absolute afforded 3. Derivative 4 was prepared by the reaction of 3 with carbon disulphide, treated of compound 4 with hydrazine hydrate gave 5. The derivatives (6-11) were prepared by the reaction of 5 with different substitutesof aromatic acids. The structures of these compounds were characterized from their melting points, infrared spectroscopy
... Show MoreThe researchers wanted to make a novel azo imidazole as a follow-up to their previous work. We focused on the ligand 4-[(2-amino-4-phenylazo)- methyl]-cyclohexane carboxylic acid as a derivative of trans-4- (aminomethyl) cyclohexane carboxylic acid diazonium salt, synthesized a series of its chelate complexes with metal ions, and characterized these compounds using a variety techniques, including elemental analysis, FTIR, LC-Mass, NMR and UV-Vis spectral process as well TGA, conductivity and magnetic quantifications. Analytical data showed that the Cr(III), Mn(II) and Zn(II) complexes out to 1:1 metal-ligand ratio with octahedral geometry except Mn complex has tetrahedral geometry.
A new 4-thiazolidinone, substitutedbenzylidene-thiazolidinone and tetrazole were synthesized from thiosemicarbazone and hydrazone. The thiosemicarbazone was prepared by the reaction of thiosemicarbazide with aldehyde derivative from L-ascorbic acid in absolute ethanol using glacial acetic acid as a catalyst. 1, 3-thiazolidin-4-ones were synthesized from the condensation of thiosemicarbazones with chloroacetic acid in presence of anhydrous sodium acetate. A 1, 3- thiazolidine-4-one was reaction with several 4-substitutedaldehydes to produce new derivatives with a double bond at the position-5 of the 4-thiazolidinone ring. While the tetrazole compounds were synthesized by 1, 3-cycloaddition reaction of sodium azide and hydrazone compounds in
... Show MoreSchiff bases (SBs) represent multipurpose ligands that can be prepared from the concentration of prime amines with carbonyl clusters. Creation of SB transition metal compounds via as ligands has opportunity of attaining coordination complexes of abnormal arrangement and stability. These transition metal compounds have extraordinary attention as a consequence of their dynamic portion in metalloenzymes and as biomimetic prototypical complexes as a result of their proximity to usual enzymes and proteins. These complexes are imperative in medicinal disciplines owing to their widespread range of biological actions. They mostly exhibit organic actions involving antifungal, antibacterial, antitumor, antidiabetic, herbicidal, antiproliferative, ant
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