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1.
Umar Farooq Sara Khan Sadia Naz Tanveer A. Wani Syed Majid Bukhari Abullahi Tunde Aborode Sohail Anjum Shahzad Seema Zargar 《Molecules (Basel, Switzerland)》2022,27(15)
(1) Background: Achillea mellifolium belongs to a highly reputed family of medicinal plants, with plant extract being used as medicine in indigenous system. However, limited data is available regarding the exploitation of the medicinal potential of isolated pure compounds from this family; (2) Methods: A whole plant extract was partitioned into fractions and on the basis of biological activity, an ethyl acetate fraction was selected for isolation of pure compounds. Isolated compounds were characterized using different spectroscopic techniques. The compounds isolated from this study were tested for their medicinal potential using in-vitro enzyme assay, coupled with in-silico studies; (3) Results: Three new acrylic acid derivatives (1–3) have been isolated from the ethyl acetate fraction of Achillea mellifolium. The characterization of these compounds (1–3) was carried out using UV/Vis, FT-IR, 1D and 2D-NMR spectroscopy (1H-NMR, 13C-NMR, HMBC, NOESY) and mass spectrometry. These acrylic acid derivatives were further evaluated for their enzyme inhibition potential against urease from jack bean and α glucosidase from Saccharomyces cerevisiae, using both in-silico and in-vitro approaches. In-vitro studies showed that compound 3 has the highest inhibition against urease enzyme (IC50 =10.46 ± 0.03 μΜ), followed by compound 1 and compound 2 with percent inhibition and IC50 value of 16.87 ± 0.02 c and 13.71 ± 0.07 μΜ, respectively, compared to the standard (thiourea-IC50 = 21.5 ± 0.01 μΜ). The investigated IC50 value of compound 3 against the urease enzyme is two times lower compared to thiourea, suggesting that this compound is twice as active compared to the standard drug. On the other hand, all three compounds (1–3) revealed mild inhibition potential against α-glucosidase. In-silico molecular docking studies, in combination with MD simulations and free energy, calculations were also performed to rationalize their time evolved mode of interaction inside the active pocket. Binding energies were computed using a MMPBSA approach, and the role of individual residues to overall binding of the inhibitors inside the active pockets were also computed; (4) Conclusions: Together, these studies confirm the inhibitory potential of isolated acrylic acid derivatives against both urease and α-glucosidase enzymes; however, their inhibition potential is better for urease enzyme even when compared to the standard. 相似文献
2.
K. K. Verma Seema Shashi Chhabra 《Phosphorus, sulfur, and silicon and the related elements》2013,188(12):3037-3045
The synthesis and structural features of some newly synthesized 1,10-phenanthroline complexes of p-hydroxyphenyl-and 3-methyl-4-hydroxyphenyltellurium trihalides (chlorides, bromides, and iodides) are reported. The resulting complexes have been subjected to elemental analyses, conductance and cryoscopic measurements, infra-red and proton magnetic resonance spectral studies. Solution studies reveal the weak to 1:1 electrolyte type behavior of these complexes in solution. Spectral studies indicate the linkage of phenanthroline to the tellurium atom through the nitrogen atoms. Central tellurium atom in these complexes is hexa-coordinated in an octahedral way. 相似文献
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4.
In this paper we define higher order (F,α,β,ρ,d,E)-convex function with respect to E-differentiable function K and obtain optimality conditions for nonlinear programming problem (NP) from the concept of higher order (F,α,β,ρ,d)-convexity. Here, we establish Mond-Weir and Wolfe duality for (NP) and utilize these duality in nonlinear fractional programming problem. 相似文献
5.
Shinoo Srivastava Seema Srivastava M. K. Pandey S. K. Naman Shweta Srivastava 《Journal of Macromolecular Science: Physics》2013,52(3):617-636
A study of the normal modes of vibration and their dispersion in polyadenylic acid based on the Urey–Bradley force field is reported. It gives a better interpretation of FTIR spectra as compared with the valence force field. Characteristic features of dispersion curves such as regions of high density‐of‐states, repulsion, and character mixing of dispersive modes are discussed. Predictive valuzes of heat capacity as a function of temperature are reported. 相似文献
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7.
T.E. Vittal Prasad M. Vasavi M. Jyotsna V. Jhansi G. Smitha D.H.L. Prasad 《The Journal of chemical thermodynamics》2008,40(9):1418-1421
Bubble point temperatures (at 95.35 kPa) over the entire composition range were measured for the binary mixtures formed by ethyl benzene with: acetyl acetone, o-, and p-cresols, 1-hexanol, and tetraethoxysilane, employing a Swietoslawski type ebulliometer. Wilson equation was used to represent the measured liquid phase composition versus bubble point temperature data, and the computed values of the vapor phase mole fractions, activity coefficients, and excess Gibbs free energy were tabulated and briefly discussed. 相似文献
8.
Levason W Light ME Maheshwari S Reid G Zhang W 《Dalton transactions (Cambridge, England : 2003)》2011,40(19):5291-5297
The preparations and spectroscopic characterisation of the hydrolytically unstable As(III) complexes, [AsF(3)(OPR(3))(2)] (R = Me or Ph) and [AsF(3){Me(2)P(O)CH(2)P(O)Me(2)}] are described and represent the first examples of complexes of AsF(3) with neutral ligands. The crystal structure of [AsF(3){Me(2)P(O)CH(2)P(O)Me(2)}] contains dimers with bridging diphosphine dioxide, but there are also long contacts between the dimers to neighbouring phosphine oxide groups, completing a very distorted six-coordination at arsenic and producing a weakly associated polymer structure. The reaction of AsF(3) with OAsPh(3) affords Ph(3)AsF(2), and no arsine oxide complex was formed. Reaction of SbF(3) with OER(3) (R = Me or Ph, E = P or As), Me(2)P(O)CH(2)P(O)Me(2) and Ph(2)P(O)(CH(2))(n)P(O)Ph(2) (n = 1 or 2) in MeOH produces [SbF(3)(OER(3))(2)], [SbF(3){Me(2)P(O)CH(2)P(O)Me(2)}] and [SbF(3){Ph(2)P(O)(CH(2))(n)P(O)Ph(2)}] respectively. The X-ray structures reveal that the complexes contain square pyramidal SbF(3)O(2) cores with apical F and cis disposed pnictogen oxides. However, whilst [SbF(3)(OER(3))(2)] (R = Ph: E = P or As; R = Me: E = As) and [SbF(3){Ph(2)P(O)CH(2)P(O)Ph(2)}] are monomeric, [SbF(3){Me(2)P(O)CH(2)P(O)Me(2)}] is a dimer with bridging diphosphine dioxides producing a twelve-membered ring, and [SbF(3){Ph(2)P(O)(CH(2))(2)P(O)Ph(2)}] is a chain polymer with diphosphine dioxide bridges. In the OAsR(3) reactions with SbF(3), R(3)AsF(2) are also formed. Notably the Sb-O(P) bonds are shorter than As-O(P), despite the covalent radii (As < Sb), consistent with very weak coordination of the AsF(3). IR and multinuclear ((1)H, (19)F and (31)P) NMR data are reported and discussed. BiF(3) does not react with pnictogen oxide ligands under similar conditions and halide exchange of bismuth chloro complexes with Me(3)SnF gave BiF(3). 相似文献
9.
Transition metal complexes of Mn(II) and Ni(II) have been synthesized with novel bioactive Schiff's base ligand. Schiff's base ligand i.e. benzoylacetone‐bis(2‐amino‐4‐methylbenzothioazole) has been synthesized via condensation reaction between 2‐amino‐4‐methylbenzothioazole and benzoylacetone in 2:1 ratio, respectively. Synthesized ligand has been characterized using elemental analysis, infra‐red, 1H–NMR and mass spectroscopy techniques. Characterization of complexes was based on magnetic moment, molar conductance, elemental analysis, electronic spectra, infra‐red and EPR spectroscopic techniques. Molar conductance data suggest that metal complexes are non‐electrolytic in nature. Therefore, these complexes are formulated as [M(L)X2], where M = Mn(II), Ni(II), L = Schiff's base ligand, X = Cl?, CH3COO?, NO3?. Data of characterization study suggest octahedral geometry for Mn(II) and Ni(II) complexes. Geometry of metal complexes was also optimized with the help of computational study i.e. molecular modelling. Computational study also suggests octahedral geometry for complexes. Free ligand as well as its all metal complexes have been screened against the growth of pathogenic bacteria (E.coli, S.aureus) and fungi (C.albicans, C.krusei, C.parapsilosis, C.tropicalis) to assess their inhibition potential. The inhibition data revealed that metal complexes exhibit higher inhibition potential against the growth of bacteria and fungi microorganisms than free ligand. 相似文献
10.
McArdle CP Jennings MC Vittal JJ Puddephatt RJ 《Chemistry (Weinheim an der Bergstrasse, Germany)》2001,7(16):3572-3583
Reaction of the flexible dialkynyldigold(I) precursors X(4-C6H4OCH2C-CAu)2 with 1,4-bis(diphenylphosphino)butane gave complexes of formula [[[mu-X(4-C6H4OCH2CCAu)2[mu-(Ph2PCH2CH2CH2CH2PPh2)]]n]. The complexes exist as 25-membered ring compounds with n = 1 when X = O or S, as [2]catenanes with n = 2 when X = CH2 or CMe2, and as a unique doubly braided [2]catenane, containing interlocked 50-membered rings with n = 4 when X = cyclohexylidene. These compounds form easily and selectively by self-assembly; reasons for the selectivity are also discussed. 相似文献