Synthesis, spectroscopic characterization, molecular docking, and ADMET studies of mannopyranoside esters as antimicrobial agents (original) (raw)
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Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013
2,5-Hexanedione bis(salicyloylhydrazone) [H 4 L] formed novel complexes with some transition metal ions. H 4 L and its complexes were characterized by elemental analyses, spectral (IR, 1 H NMR, ESR and MS), thermal and magnetic measurements. The complexes have the formulae [VO(H 2 L)]AE2H 2 O, [Ni(H 2 L)]AE3H 2 O, [Zn(H 2 L)], [Ni(H 4 L)Cl 2 ]AE2H 2 O and [Cr 2 (H 2 L)(OAc) 2 (OH) 2 ]-AE2H2O, [Cu(H 4 L) (H 2 L)(EtOH) 2 ]AE2H 2 O, [Co 2 (H 2 L)(OAc) 2 ]AEH 2 O, [Mn 2 (H 2 L)-(OH) 2 ]AEH 2 O [Cu 2 (H 2 L)(OAc) 2 (H 2 O) 6 ], and [Co 2 (H 2 L)(H 2 O) 4 Cl 2 ]AE2H 2 O. H 4 L released its OH or NH protons during the complex formation. Acetate and hydroxo groups bridged the two chromium in [Cr 2 (H 2 L)(OAc) 2 (OH) 2 ]AE2H 2 O. The magnetic moments and electronic spectra of all complexes provide: tetrahedral for [Co 2 (H 2 L)(OAc) 2 ]AEH 2 O, [Ni(H 2 L)]AE3H 2 O and [Zn(H 2 L)]; square-pyramidal for [VO(H 2 L)]AE2H 2 O and octahedral for the rest. In DMF solution, the bands are shifted to higher energy suggesting a weak interaction with the solvent. The ESR spectra support the mononuclear geometry for [VO(H 2 L)]AE2H 2 O and [Cu(H 3 L) 2 (EtOH) 2 ]AE2H 2 O. The thermal decomposition of the complexes revealed the outer and inner solvents as well as the end product which in most cases is metal oxide.
Journal of Enzyme Inhibition and Medicinal Chemistry, 2009
Complexes of the type [M(pabh)(H 2 O)Cl], [M(pcbh)(H 2 O)Cl] and [M(Hpabh)(H 2 O) 2 (SO 4)] where, M ¼ Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); Hpabh ¼ p-amino acetophenone benzoyl hydrazone and Hpcbh ¼ p-chloro acetophenone benzoyl hydrazone have been synthesized and characterized with the help of elemental analyses, electrical conductance, magnetic susceptibility measurements, electronic, ESR and IR spectra, thermal (TGA & DTA) and X-ray diffraction studies. Co(II), Ni(II) and Cu(II) chloride complexes are square planar, whereas their sulfate complexes have spin-free octahedral geometry. ESR spectra of Cu(II) complexes with Hpabh are axial and suggest d x 2 2y 2 as the ground state. The ligand is bidentate bonding through .CvN2 and deprotonated enolate group in all the chloro complexes, whereas, .CvN and .CvO groups in all the sulfato complexes. Thermal studies (TGA & DTA) on [Cu(Hpabh)(H 2 O) 2 (SO 4)] indicate a multistep decomposition pattern, which are both exothermic and endothermic in nature. X-ray powder diffraction parameters for [Co(pabh)(H 2 O)Cl] and [Ni(Hpabh)(H 2 O) 2 (SO 4)] correspond to tetragonal and orthorhombic crystal lattices, respectively. The ligands as well as their complexes show a significant antifungal and antibacterial activity. The metal complexes are more active than the ligand.
Complexes of the selected transition metal ions with 4-methoxycinnamic acid
Journal of Thermal Analysis and Calorimetry, 2012
In this study, 4-methoxycinnamates of Mn(II), Co(II), Ni(II), Cu(II), Cd(II), Nd(III) and Gd(III) were synthesised. From the infrared (IR) spectra analysis of complexes, sodium salt and according to the spectroscopic criteria the carboxylate groups seem to be bidentate chelating. The complexes of 4-methoxycinnamates lose the water molecules in one or two steps. The final products of their decomposition are oxides of the respective metals. The enthalpy values of dehydration process were determined. The FTIR spectra of the gas phase products indicate that the decomposition of the complexes is connected mainly with the release of molecules of water (H 2 O), carbon dioxide (CO 2), carbon monoxide (CO), methane (CH 4) and other hydrocarbons. The analysed compounds follow the Curie-Weiss law. The magnetic moment values experimentally determined change as follows: from 5.90 l B to 6.27 l B for Mn(II) complex, from 4.57 l B to 4.99 l B for Co(II) complex, from 3.68 l B to 3.30 l B for Ni(II) complex, from 1.87 l B to 1.96 l B for Cu(II) complex, from 3.06 l B to 3.51 l B for Nd(III) complex, and from 6.91 l B to 6.90 l B for Gd(III) complex. Keywords 4-Methoxycinnamates Á Thermal stability Á Magnetic moments Á Mn(II) Á Co(II) Á Ni(II) Á Cu(II) Á Nd(III) Á Gd(III) complexes
Transition Metal Chemistry, 2007
The solid complexes of MnII, FeIII, CoII, NiII and CuII with 3-(3-furan-2yl-acryloyl)-6-methyl-pyran-2,4-dione(L1) and 3-(3-thiophene-2yl-acryloyl)-6-methyl-pyran-2,4-dione (L2) have been synthesized and characterized by elemental analysis, conductometry, thermal analysis, magnetic, i.r., P-n.m.r., u.v.–vis, X-ray diffraction and antimicrobial study. From the analytical and spectral data, the stoichiometry of the complexes has been found to be 1:2 (metal:ligand). I.r. spectral data suggest that the ligand behaves as a dibasic bidentate ligand with O:O donor sequence towards metal ions. The physico-chemical data suggests distorted octahedral geometry for CuII complexes and octahedral geometry for all other complexes. The X-ray diffraction suggests an Orthorhombic crystal system for the CuII complex and Monoclinic crystal system for CoII and NiII complexes of ligand L1. The ligands and their metal complexes were screened for antibacterial activity against Staphylococcus aureus and Escherichia coli, and the fungicidal activity against Aspergillus flavus, Curvularia lunata and Penicillium notatum.
IOSR Journal of Applied Chemistry, 2014
Several new complexes of some transition metal ions with organometallic compounds were derived from ferrocencecarboxylaldehyde and 4-amino-2-hydroxy pyridine. These organometallic complexes were investigated by using some analytical techniques like infrared, mass spectra, electronic spectra, electron spin resonance, thermal analysis, magnetic moment, conductivity and antimicrobial activity. From the obtained elemental analysis data, organometallic compounds complexes shows 1:2 [M: L] ratio and general formula of the complex is [ML 2 .2H 2 O]. These complexes revealed a non-electrolytic nature. The magnetic moment values of the complexes exhibited the paramagnetic as well as diamagnetic in nature. The coordination behavior of the metal ions towards to the investigated organometallic compounds takes place through >C=N-and-OH groups. The electronic spectral data shows that all the complexes are covalent in nature, octahedral structure with coordination number six. Organometallic compound complexes were loses two water molecules subjected to simultaneous thermo gravimetric analysis, to study their decomposition mechanism and thermal stability. Mass spectra of the organometallic compound and their complexes are matched with theoretical values of the masses. The prepared organometallic compounds and their metal complexes were screened for their antibacterial activity against some bacterial species, Escherichia coli, Pseudomonas aeruginosa and Staphylococcus Pyogones. The Antimicrobial activity data show the metal complexes to be more active than the parent organometallic compounds.
2017
Department of Chemistry, Inorganic Chemistry Section, Jadavpur University, Kolkata-700 032, India <em>E-mail</em> : c_r_sinha@yahoo.com Department of Biotechnology, Haldia Institute of Technology, Haldia, Purba Medinipur-721 657, West Bengal, India <em>Manuscript received 20 January 2017, accepted 07 February 2017</em> [4-(Z)-((2-Hydroxy-4-oxopent-2-en-3-yl)diazenyl)-N-(5-methylisoxazol-3-yl)benzene sulfonamide] (sulfamethoxazolyl-azo-acetylacetone, HL) serves as monoanionic N,O chelator and has been used to synthesize manganese(II), [Mn(L)<sub>2</sub> (H<sub>2</sub>O)<sub>4 </sub>] (1) and copper(II), [Cu(L)<sub>2</sub> (H<sub>2</sub>O)<sub>4</sub> ] (2) complexes. Different physicochemical techniques (FT-IR, UV-Vis, Mass, SEM-EDX, thermal, bulk magnetic moment, EPR) have been employed to establish the structure and electronic configuration of the complexes. The interaction of CT-DNA wit...
Arabian Journal of Chemistry, 2013
A newly synthesized ligand, 5-((1H-indol-1-yl)methyl)quinolin-8-ol (L) was characterized by 1 H NMR, 13 C NMR, DEPT-135 and IR spectroscopic techniques. The synthesized metal complexes were characterized using elemental analyses, (infrared, electronic and FAB mass) spectra, magnetic measurements and thermogravimetric analyses. Kinetic parameters such as order of reaction (n) and the energy of activation (Ea) are reported using the Freeman-Carroll method. The pre-exponential factor (A), the activation entropy (DS#), the activation enthalpy (DH#) and the free energy of activation (DG#) were calculated. Metal complexes are also screened for their in vitro antibacterial activity against a range of Gram-positive and Gram-negative organisms.
Two novel aroylhydrazonemonoxime ligands and their metal (II) complexes of [Co II ,Ni II ,Cu II ,Zn II ,Cd II ] were synthesized. These ligands are Diacetylmonoxime-4-nitrobenzoylhydrazone (L 1 H 2), Diacetylmonoxime-4-hydroxybenzoylhydrazone (L 2 H 2). The synthesized 4-hydroxybenzoyl hydrazide and 4-nitrobenzoylhydrazide were reacted with diacetyl monoxime to obtain the (L 1 H 2 , L 2 H 2) ligands. Mononuclear complexes of these ligands of the type [M(L n H) 2 ] where (M-= Co II ,Ni II ,Cu II ,Zn II ,Cd II ; n =1,2) with metal:ligand molar ratio of (1:2) were prepared in the presence of Et 3 N. The metal ions complexes [M(L n H) 2 ] are proposed to be six-coordinated with a N 4 O 2 donor environment. Each ligand is coordinated through the oxime nitrogen, the imine nitrogen and the enolic oxygen atoms while the phenolic hydroxyl and oxime hydroxyl groups of aroylhydrazonemonoxime moiety do not participate in coordination. The structures of the complexes were suggested on the basis of 1 H-NMR, 13 C-NMR, FT-IR, elemental analysis (CHN), magnetic susceptibility measurements and U.V.–visible spectroscopy.