Design, synthesis, characterization, in vitro cytotoxic, antimicrobial, antioxidant studies, DFT, thermal and molecular docking evaluation of biocompatible Co(II) complexes of N4O4-macrocyclic ligands.

Bioactive cobalt (II) macrocyclic complexes [Co(N4O4ML1)Cl2]-[Co(N4O4ML3)Cl2] have been synthesized by using the macrocyclic ligands [N4O4ML1], [N4O4ML2], and [N4O4ML3] that have an N4O4 core. These three macrocyclic ligands were all isolated in pure form, together with their complexes. Microanalytical investigations, FT-IR NMR, Mass, magnetic moments, electronic, PXRD, TGA, and EPR spectrum studies were used to analyse their structures. For these complexes, an octahedral geometry is proposed for the metal ion. By using molecular weights and conductivity measurements the monomeric and non-electrolytic nature has been confirmed. The Coats-Redfern and FWO methods are used to determine the thermodynamic characteristics of the ligands and their Co(II) complexes. The molecular modelling using the DFT technique displays the bond angle, bond lengths and quantum chemical properties. To determine their ability to prevent the growth of harmful fungus and bacteria, the ligands [N4O4ML1]- [N4O4ML3] and their complexes were tested in vitro against A. Niger, C. albicans and B. subtilis, S. aureus, E. coli and S. typhi fungal and bacterial organisms, respectively. By using DPPH free radical scavenger assays, the in vitro antioxidant capabilities of each compound were evaluated. The [Co(N4O4ML3)Cl2] antioxidative capabilities revealed significant radical scavenging power. The MTT assay was used to assess the toxicity of all the synthesised compounds under inquiry on MCF-7, HeLa, and A549 cancer cells. The findings revealed that the ligand and the compounds gave outstanding IC50 values in the range of 9.07-36.25 (uM) at a concentration of 25 ppm. Among all the substances evaluated, [Co(N4O4ML3)Cl2] complex was discovered to be the most active and least cytotoxic. Additionally, docking investigations of the produced compounds were carried out in order to validate the biological outcomes.

Potentially biodynamic tetraaza macrocycles and their manganese complexes: antiandrogen, antimicrobial and PDI studies.

Fourteen to eighteen membered tetraazamacrocyclic ligands N(4)TTD(1)-N(4)TTD(4) have been synthesized by the condensation of aliphatic diamines. H(2)N-(CH(2))(y)-NH(2) (y = 2 or 3) and dicarboxylic acids, HOOC-(CH(2))(x)-COOH (x = 1 or 2) in the presence of condensing reagents dicyclohexylcarbodiimide (DCHC) and 4-dimethylaminopyridine (DMAP). On reduction these macrocyclic ligands give N(4)TTD(5)-N(4)TTD(8), which form complexes with manganese(II) acetate. The new products with octahedral geometry have been characterized by elemental analyses, molecular weight determinations, magnetic moment and spectral studies viz., infrared, electronic, mass and X-ray. On the basis of the spectral studies the binding sites are proposed as the nitrogen atom of the macrocycles. The formulation of the complexes as [Mn(CH(3)COO)(2)(N(4)TTD(n))] (where n = 1 - 8) has been established on the basis of chemical composition. To assess the growth inhibiting potential of the ligands and their manganese (II) complexes biological screening have been undertaken. The testicular morphology, testicular sperm density, sperm motility, density of cauda epididymal spermatozoa and fertility in mating trials and biochemical parameters of reproductive organs with ligands and their corresponding complexes, in vivo have also been described in the this communication.

Fertility inhibitors macrocyclic complexes of bivalent manganese: synthetic, spectroscopic and medicinal approach.

The modern physico-chemical, spectroscopic and biochemical methods have proved an important tool to elucidate the constitution of transition metal complexes. This paper presents a brief account of the synthesis, spectroscopic and medicinal aspects of tetraazamacrocyclic compounds of manganese(II). Sixteen to eighteen membered tetraamide macrocyclic ligands DTTD(1) and DTTD(2) have been synthesized by the condensation of 1,2-diaminoethane and 1,3-diaminopropane with phthalic acid in the presence of condensing reagents dicyclohexylcarbodiimide and 4-dimethylaminopyridine. On reduction these macrocyclic ligands give new tetraazamacrocycles TTD(1) and TTD(2) which form complexes with manganese (II) nitrate and manganese (II) acetate. Based on chemical analyses, molecular weight determinations, conductance measurements, magnetic moment, IR spectra, (1)H NMR, (13)C NMR spectra, electronic spectra, mass spectra and X-ray spectral analysis, an octahedral geometry has been assigned to the newly synthesized products. The formulation of the complexes of the type [Mn(TTD(n))X(2)] [where, n or 2, X (NO(3)) or (CH(3)COO)] has been established on the basis of chemical composition. The possibilities of potential uses of these complexes as fungicides and bactericides, studied in vitro, are also discussed. The testicular sperm density, sperm morphology, sperm mortality, density of cauda epididymis, spermatozoa and fertility in mating trials and biochemical parameters of reproductive organs of rat have been examined and discussed.

Synthetic, biochemical, antifertility and antiinflammatory aspects of manganese and iron complexes.

Manganese(II) and iron(II) macrocyclic complexes of polyamide groups have been synthesized by the template codensation of diamines (2,6 diaminopyridine, 1,2 phenylenediamine and 1,3 phenylenediame) and triamine (diethylenetriamine) with phthalic acid in 1:2:2 molar ratios. On the basis of elemental analysis, IR, electronic, magnetic moment, Mössbauer, mass and X-ray spectral studies, octahedral structure has been assigned to [M(N4macn)Cl2] (M = Mn(II) and Fe(II), n = 1 to 4) complexes. The complexes have been screened in vitro against a number of fungi and bacteria to assess their growth inhibiting potential. An attempt has been made to correlate the structural aspects of the compounds with their antiinflammatory and antifertility activities.