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The azo ligand obtained from the diazotization reaction of 2-aminobenzothiazole and 4-nitroaniline yielded a novel series of complexes with Co(II), Ni(II), Cu(II), and Zn(II) ions. The complexes were investigated using spectral techniques such as UV-Vis, FT-IR, 1H and 13C NMR spectroscopic analyses, LC-MS and atomic absorption spectrometry, electrical conductivity, and magnetic susceptibility. The molar ratio of the synthesized compounds was determined using the ligand exchange ratio, which revealed the metal-ligand ratios in the isolated complexes were 1:2. The synthesized complexes were tested for antimicrobial activity against S. aureus, E. coli, C. albicans, and C. tropicalis bacterial species. Additionally, their binding affinities were predicted using molecular docking analysis, and their pharmacokinetic and drug-likeness properties were evaluated. [ABSTRACT FROM AUTHOR]

The anticancer studies of a Schiff base; (E)‐2((2‐hydroxybenzylidene)amino‐3‐mercaptopropanoic acid (H2L) (obtained from 2‐hydroxybenzaldehyde and L‐cysteine) and its transition metal complexes have been reported. The evaluation of the growth inhibitory action was studied for the compounds against human colon carcinoma (HCT‐116), human hepatocellular liver carcinoma (HEPG‐2), normal melanocytes (HFB‐4) and human breast carcinoma (MCF‐7) cell lines. The obtained results revealed that the Schiff base and its chelates are active against human hepatocellular liver carcinoma (HEPG‐2) cell lines. The powder X‐ray diffraction analysis for the compounds was carried out through Phillips X′Pert High score software. The density functional theory computation for ligand and Co(II), Ni(II) and Cu(II) metal complexes were made to understand the mode of bonding by GAUSSIAN 03 rev. A.01 programme. The quantitative structure‐activity relationship investigation was performed by using HyperChem Professional 8.0.3 software to understand the biological potency of the ligands. Moreover, a docking analysis using iGEMDOCKv2.1 software was carried out against the kinase enzyme PDB ID:1fvv. [ABSTRACT FROM AUTHOR]

Ureas and thioureas, otherwise known as carbamides and thiocarbamides, respectively, are rich sources of nitrogen. Urea has a wide range of applications in agriculture, the chemical industry, and automobile systems, and is an important chemical in medical uses. Thiourea, an organosulfur compound, has long been known as an important reagent in organic synthesis, and has been employed in textile processing, used as a source of sulphides, and acts as a precursor in the synthesis of several heterocyclic compounds. The exceptional ligating properties of these compounds enable them to form a large number of complex compounds with transition metals, a vast majority of which find abundant applications in potential areas. This has stimulated researchers to explore novel applications of the synthesized ligands and the metal complexes thereof. This review presents a report of the studies on the biological activities, sensor properties, opical nonlinear properties, corrosion inhibitior potential, and catalytic activities of these compounds and their metal complexes. [ABSTRACT FROM AUTHOR]

A novel series of Schiff base metal complexes of the type [M(L)2].nH2O, where L= 2-(α-methylsalicylidenehydrazino) benzimidazole (L1), 2-(α-phenylsalicylidenehydrazino)benzimidazole (L2), 2-(o-vanillinidenehydrazino)benzimidazole (L3), M = Cu(II), Co(II), Ni(II) and Zn(II), have been synthesized and characterized. The results are in consistent with tridentate chelation of ligand with azomethine nitrogen, ring nitrogen and a deprotonated phenolic oxygen atom. All these compounds have been screened for their antibacterial activities against B. subtilis, B. stearothermophilus, E. coli and S. typhi. [ABSTRACT FROM AUTHOR]

Abstract A novel series of complexes of the type, [ML 2 ].nH 2 O, [where L = 2-(α-methyl salicylidene–2′-imino) aminobenzo thiazole (HMAB), 2-(α-phenyl salicylidene–2′-imino) aminobenzo thiazole (HPAB), 2-(o-Vanillidene–2′-imino) amino benzothiazole (HVAB)] have been reported. These Schiff bases and their transition metal complexes were fully characterized by several physico-chemical and spectral techniques, which revealed the tridentate chelation of ligand. The DFT calculations of these reported compounds were made to obtain bonding inside the structure by GAUSSIAN 03 programme platforms. The QSAR study was performed by HyperChem Professional 8.0.3 software to explain the biological effeteness of the ligands. A docking analysis using the AutoDock Vina software was carried out to understand the binding pattern of the investigated compounds towards target proteins CYP121 and CYP51 from Mycobacterium tuberculosis. Furthermore, all the compounds have been reported to exhibit significant antifungal activity when tested against Aspergillus flavus and Aspergillus niger. Graphical abstract Image Highlights • Schiff base ligands are prepared from 2-hydrazinobenzothiazole. • The metal complexes are synthesized and characterised by spectroscopic, thermal and X.R.D. powder pattern. • Molecular modelling of the ligands and their Cu & Zn complexes are made to understand the mode of bonding. • Molecular docking, QSAR and antifungal study were ascertained to verify the bio-potency of the compounds. [ABSTRACT FROM AUTHOR]