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1.
Seven additional components, polyoxins C, D, E, F, G, H and I were isolated from polyoxin complex. They have molecular formulae corresponding to C11H15N3O8, C17H23N5O14, C17H23N5O13, C23H30N6O15, C17H25N5O12, C23H32N6O13 and C19H24N4O12, respectively. These polyoxins except inactive polyoxins C and I were highly active against various kinds of phytopathogenic fungi. The close structural similarity among them including polyoxins A and B is also discussed.  相似文献   

2.
From ezomycin complex produced by a strain of Streptomyces were isolated four components named ezomycins A1 (C26H40N8O16S), A2 (C19H28N6O13), B1 (C26H39N7O17S) and B2 (C19H27N5O14) which are new pyrimidine nucleosides. Ezomycins A1 and B1 containing l-cystathionine were found to be responsible for specific antimicrobial activity of the complex against Sclerotinia and Botrytis species.  相似文献   

3.
The interaction studies of CuII nalidixic acid–DACH chemotherapeutic drug entity, [C36H50N8O6Cu] with serum albumin proteins, viz., human serum albumin (HSA) and bovine serum albumin (BSA) employing UV–vis, fluorescence, CD, FTIR and molecular docking techniques have been carried out. Complex [C36H50N8O6Cu] demonstrated strong binding affinity towards serum albumin proteins via hydrophobic contacts with binding constants, K?=?3.18?×?105 and 7.44?×?104 M–1 for HSA and BSA, respectively implicating a higher binding affinity for HSA. The thermodynamic parameters ΔG, ΔH and ΔS at different temperatures were also calculated and the interaction of complex [C36H50N8O6Cu] with HSA and BSA was found to be enthalpy and entropy favoured, nevertheless, complex [C36H50N8O6Cu] demonstrated higher binding affinity towards HSA than BSA evidenced from its higher binding constant values. Time resolved fluorescence spectroscopy (TRFS) was carried out to validate the static quenching mechanism of HSA/BSA fluorescence. The collaborative results of spectroscopic studies indicated that the microenvironment and the conformation of HSA and BSA (α–helix) were significantly perturbed upon interaction with complex [C36H50N8O6Cu]. Hirshfeld surfaces analysis and fingerprint plots revealed various intermolecular interactions viz., N–H····O, O–H····O and C–H····O linkages in a 2–dimensional framework that provide crucial information about the supramolecular architectures in the complex. Molecular docking studies were carried out to ascertain the preferential binding mode and affinity of complex [C36H50N8O6Cu] at the target site of HSA and BSA. Furthermore, only for Transmission electroscopy microscopy micrographs of HSA and BSA in presence of complex [C36H50N8O6Cu] revealed major protein morphological transitions and aggregation which validates efficient delivery of complex by serum proteins to the target site.

Communicated by Ramaswamy H. Sarma  相似文献   


4.
New tailored Cu(II) & Zn(II) metal-based antitumor drug entities were synthesized from substituted benzothiazole o?vanillin Schiff base ligands. The complexes were thoroughly characterized by elemental analysis, spectroscopic studies {IR, 1H & 13C NMR, ESI?MS, EPR} and magnetic susceptibility measurements. The structure activity relationship (SAR) studies of benzothiazole Cu(II) & Zn(II) complexes having molecular formulas [C30H22CuN5O7S2], [C30H20Cl2CuN5O7S2], [C30H20CuF2N5O7S2], [C30H22N4O4S2Zn], [C30H20Cl2N4O4S2Zn], and [C30H20F2N5O7S2Zn], with CT?DNA were performed by employing absorption, emission titrations, and hydrodynamic measurements. The DNA binding affinity was quantified by K b and K sv values which gave higher binding propensity for chloro-substituted Cu(II) [C30H20Cl2CuN5O7S2] complex, suggestive of groove binding mode with subtle partial intercalation. Molecular properties and drug likeness profile were assessed for the ligands and all the Lipinski’s rules were found to be obeyed. The antimicrobial potential of ligands and their Cu(II) & Zn(II) complexes were screened against some notably important pathogens viz., E. coli, S. aureus, P. aeruginosa, B. subtilis, and C. albicans. The cytotoxicity of the complexes [C30H20Cl2CuN5O7S2], [C30H20CuF2N5O7S2], [C30H20Cl2N4O4S2Zn], and [C30H20F2N5O7S2Zn] were evaluated against five human cancer cell lines viz., MCF?7 (breast), MIA?PA?CA?2 (pancreatic), HeLa (cervix) and Hep?G2 (Hepatoma) and A498 (Kidney) by SRB assay which revealed that chloro-substituted [C30H20Cl2CuN5O7S2] complex, exhibited pronounced specific cytotoxicity with GI50 value of 4.8 μg/ml against HeLa cell line. Molecular docking studies were also performed to explore the binding modes and orientation of the complexes in the DNA helix.  相似文献   

5.
The structures of ten fatty acids, which were obtained by the hydrolysis of tunicamycin complex, were determined. GLC-mass, 1H NMR and IR spectra showed that the major acids were trans-α, β-unsaturated iso acids with the formula C14H28O2, C16H28O2, C16H30O2 and C17H32O2. The minor acids were α, β-unsaturated normal acids and saturated normal and iso acids.  相似文献   

6.
Mitomycin A (C16H19O6N3) and mitomycin C (C15H18O5N4) are pigments which have the quinoid structure. When treated with aqueous ammonia, mitomycin A is converted to mitomycin C. Acid hydrolysis of mitomycin C gave three degradation products, namely, C14H15O5N4, C14H15O6N3 and C13H14O5N2. Acetylation with acetic anhydride and pyridine and methylation with methyl iodide gave monoacetyl and monomethyl derivatives of mitomycin C respectively, though diacetate of demethyl derivatives were obtained when boiled with acetic anhydride.  相似文献   

7.
Two mononuclear copper(II) complexes, [Cu(C15H16NO2)2] (1) and [Cu(C6H9N2O4)2·3H2O] (2·3H2O), were synthesised and structurally characterised by single-crystal X-ray analysis. The copper(II) atom adopts a square-planar environment in complex 1, while the geometry in 2·3H2O could be described as the distorted square pyramidal. Complexes 1 and 2·3H2O were evaluated for their inhibitory activities against Helicobacter pylori (H. pylori) urease in vitro. They both were found to have strong inhibitory activities against H. pylori urease comparable to that of acetohydroxamic acid (AHA). A docking simulation was performed to position 2 into the H. pylori urease active site to determine the probable binding conformation.  相似文献   

8.
Summary. Starting from a collection of 1386 druggable compounds obtained from the 3D pharmacophore search, we performed a similarity search to narrow down the scope of docking studies. The template molecule is KZ7088 (Chou et al., 2003, Biochem Biophys Res Commun 308: 148–151). The MDL MACCS keys were used to fingerprint the molecules. The Tanimoto coefficient is taken as the metric to compare fingerprints. If the similarity threshold was 0.8, a set of 50 unique hits and 103 conformers were retrieved as a result of similarity search. The AutoDock 3.011 was used to carry out molecular docking of 50 ligands to their macromolecular protein receptors. Three compounds, i.e., C28H34O4N7Cl, C21H36O5N6, and C21H36O5N6, were found that may be promising candidates for further investigation. The main feature shared by these three potential inhibitors as well as the information of the involved side chains of SARS Cov Mpro may provide useful insights for the development of potent inhibitors against SARS enzyme.  相似文献   

9.
A novel organic-inorganic hybrid pentaborate [Ni(C4H10N2)(C2H8N2)2][B5O6(OH)4]2 has been synthesized by hydrothermal reaction and characterized by FT-IR, Raman spectroscopy, elemental analyses and DTA-TGA. Its crystal structure was determined from single crystal X-ray diffraction. The structure consists of isolated polyborate anion [B5O6(OH)4] and nickel complex cation of [Ni(C4H10N2)(C2H8N2)2]2+, in which the two kinds of ligands come from the decomposition of triethylenetriamine material. The [B5O6(OH)4] units are connected to one another through hydrogen bonds, forming a three-dimensional framework with large channel along the a and c axes, in which the templating [Ni(C4H10N2)(C2H8N2)2]2+ cations are located. The assignments of the record FT-IR absorption frequencies and Raman shifts were given.  相似文献   

10.
[Ni(C11H9N2O5)2(H2O)2]?3(C3H7NO) ( 1 ) and [Co(C11H9N2O5)2(H2O)2]?3(C3H7NO) ( 2 ) are synthesized and characterized by elemental analysis, FT‐IR spectra, magnetic susceptibility, and thermal analysis. In addition, the crystal structure of Ni(II) complex is presented. Both complexes show distorted octahedral geometry. In 1 and 2, metal ions are coordinated by two oxygen atoms of salicylic residue and two nitrogen atoms of maleic amide residue from two ligands, and two oxygen atoms from two water molecules. In this paper, both compounds showed excellent inhibitory effects against human carbonic anhydrase (hCA) isoforms I, and II, α‐glycosidase, acetylcholinesterase (AChE), and butyrylcholinesterase (BChE). Compounds 1 and 2 had Ki values of 18.36 ± 4.38 and 26.61 ± 7.54 nM against hCA I and 13.81 ± 3.02 and 29.56 ± 6.52 nM against hCA II, respectively. On the other hand, their Ki values were found to be 487.45 ± 54.18 and 453.81 ± 118.61 nM against AChE and 199.21 ± 50.35 and 409.41 ± 6.86 nM against BChE, respectively.  相似文献   

11.
The Schiff base 2,2-bis((4S)-4-benzyl-2-oxazoline) (I) and its coordination complexes with rhodium(I) and palladium(II) (and with 1,5-cyclo-octadiene and allyl ligands) have been characterised by single-crystal X-ray diffraction, mass spectrometry, 13C and 1H NMR spectroscopy: [Rh(C20H20N2O2)(C8H12)][Rh2(C20H20N2O2)2](CF3SO3)3 · (CH3CH2O) (II) and [Pd(C20H20N2O2)(C3H5)]CF3SO3 (III). We discuss the reasons for the formation of two complex cations for Rh(I), [Rh(C20H20N2O2)(C8H12)]+ (IIa) and [Rh2(C20H20N2O2)2]2+ (IIb), and only one for Pd(II).  相似文献   

12.
In the screening for inhibitors of cyclic adenosine-3′,5′-monophosphate phosphodiesterase, two compounds, PDE-I (C13H13N3O5) and PDE-II (C14H14N2O5), were isolated from culture filtrates of a Streptomyces. Concentrations for 50% inhibitions of PDE-I and PDE-II against the high Km enzyme were 15 µm and 13 µm, and those against the low Km enzyme were 65 µm and 130 µm, respectively. Production, isolation and characterization of these compounds are described.  相似文献   

13.
The mechanism of action of p-chloromercuribenzoate (PCMB) on Serratia marcescens nuclease was investigated. The analysis showed that PCMB forms complexes with DNA. Binding of C7H5O2Hg+ to DNA changes the secondary structure of the DNA. These changes alter the enzymatic activity of S. marcescens nuclease, which was previously found to be sensitive to the secondary structure of the substrates. The nuclease activity was either suppressed or stimulated in the presence of PCMB depending on the C7H5O2Hg+ to nucleotide equivalent ratio. Binding of C7H5O2Hg+ to DNA did not form an abortive enzyme–substrate complex. Binding of Mg2+ to the C7H5O2Hg–DNA complex caused appropriate changes in secondary structure of the substrate. Since Mg2+ and C7H5O2Hg+, though differing in the type of metal cation, are similar in their mechanisms of influence on enzymatic activity of S. marcescens nuclease, the identity of other metal-containing effectors in their mechanism of action on Serratia marcescens nuclease is assumed.  相似文献   

14.
Isolation of luminophores from the mycelium of a luminous fungus Neonothopanus nambi is reported. In addition to the emission peak with a maximum at 520–530 nm (the wavelength of visible green light) that corresponded to the maximum of light emission by the fungus in vivo, the fluorescence spectra of the raw extracts contained a peak with a maximum in the visible blue-light range. The luminophore that emitted the blue light was an individual compound with a molecular weight of 894 Da. Calculations that took the isotope composition of chemical elements into account pointed at C52H65N2O11, C51H65N4O10, C53H61N6O7, C47H65N4O13, and C46H65N6O12 as the putative chemical formulae of the luminophore. A sample that contained substances of a yellow color was obtained; these substances emitted fluorescence at the wavelengths of green visible light. The luminophores in this sample probably included riboflavin or derivatives thereof (flavin mononucleotide or flavin adenine dinucleotide).  相似文献   

15.
A. Sellstedt 《Planta》1986,167(3):382-386
Acetylene reduction, 15N2 reduction and H2 evolution were measured in root systems of intact plants of grey alder (Alnus incana (L.) Moench) in symbiosis with Frankia. The ratios of C2H2: 15N2 were compared with C2H2:N2 ratios calculated from C2H2 reduction and H2 evolution, and with C2H2:N2 ratios calculated from accumulated C2H4 production and nitrogen content. It was possible to calculate C2H2:N2 ratios from C2H2 reduction and H2 evolution because this source of Frankia did not show any hydrogenase activity. The ratios obtained using the different methods ranged from 2.72 to 4.42, but these values were not significantly different. It was also shown that enriched 15N could be detected in the shoot after a 1-h incubation of the root-system. It is concluded that the measurement of H2 evolution in combination with C2H2 reduction represents a nondestructive assay for nitrogen fixation in a Frankia symbiosis which shows no detectable hydrogenase activity.  相似文献   

16.
Cobalt(II) complexes of sulfadiazine formulated as [Co(C10H9N4O2S)2(CH3OH)2] and [Co(C10H9N4S)2(H2O)2] have been synthesized and characterized by elemental analysis, infrared and UV-Vis spectroscopy and magnetic susceptibility measurements. The crystal structures of the complex [Co(C10H9N4O2S)2(CH3OH)2] and of free sulfadiazine are also reported. The cobalt complex and the sulfadiazine ligand both crystallize in the monoclinic space group, P21/c, with sulfadiazine acting as a bidentate ligand. Cobalt is coordinated to two-sulfonamide nitrogen and the pyrimidine nitrogen of the sulfadiazine. Two molecules of methanol complete the octahedral geometry around the cobalt, with interligand hydrogen bonding between methanol and sulfadiazine. Infrared spectroscopy confirmed the presence of water molecule in the coordination sphere of [Co(C10H9N4S)2(H2O)2]. The electronic spectra and magnetic moments of both complexes were similar, indicating that both complexes have similar structure.  相似文献   

17.
《Inorganica chimica acta》1987,134(2):215-219
By means of the reaction between VCl3 and benzofuroxan the compound VCl3·2C6H4N2O2 was obtained, while in reaction with TiX4 (XCl, Br) the compounds with stoichiometry TiX4·C6H4N2O2 (X Cl, Br) were obtained.Furthermore, with some benzofuroxan derivatives (5-methyl, 5-chloro and 5-methoxi) the complexes MCl4·2YC6H3N2O2 (MTi, V; YCH3O, Cl, CH3), TiCl4·YC6H3N2O2 (YCH3O, CH3) and TiBr4·YC6H3N2O2 (YCH3O, Cl, CH3) have been isolated.The compounds were characterized by elementary analysis, cryoscopic molecular weight determination in nitrobenzene, magnetic measurements and IR, Vis and EPR spectroscopy.  相似文献   

18.
Résumé LeP. brevi-compactum produit onze substances phénoliques différentes: l'acide mycophénolique, les acides phénoliques C10H10O5, C10H10O6, C10H10O7 et C8H6O6 et les substances phénoliques non identifiées désignées par les chiffres VI, VII, VIII, IX, X et XI. L'acide mycophénolique et les substances X et XI qui en dérivent, sont synthétisés par la moisissure suivant un processus plus complexe que les autres substances phénoliques et sans rapport direct avec lui. Ces dernières dérivent les unes des autres par une série de transformations dont certaines sont réversibles. Il semble que les substances VI et VII soient des intermédiaires entre C10H10O7 et C8H6O6, tandis que les substances VIII et IX seraient des produits de réduction de C10H10O5.
Summary P. brevi-compactum produces eleven phenolic different substances, mycophenolic acid, phenolic acids C10H10O5, C10H10O6, C10H10O7 and C8H6O6, and the non-identified substances designed by the numbers VI, VII, VIII, IX, X and XI. Mycophenolic acid and its derivates X and XI are synthesized by the mould according to a process more complex than the other phenolic substances and have no direct connection with them. The latter derive the one from the other, in a succession of transformations some of which are reversible. It seems that the substances VI and III are intermediaries between C10H10O7 and C8H6O6, the substances VIII and IX being produced by reduction of C10H10O5.
  相似文献   

19.
Ophiobolosin A and ophiobolosin B have been isolated as metabolites of Cochliobolus miyabeanus from the mycelia cultured on the different media. The former is identical with zizanin (C29H44O5) and the new molecular formula, C25H38O4 is presented. They have a biological effect to inhibit the germination and the growth of Oryzo sativa seeds and also an antifungal activity against Trichophyton spp. Here is reported the isolation, some physical and chemical properties and biological activities of ophiobolosins.  相似文献   

20.
Organochalcogen (S/Se) functionalized chrysin derivatives were synthesized and coordinated with RuII(η6-p-cymene) to efficiently form ruthenium-based chemotherapeutic drug entities [C31H35O4SRuCl]; [C31H35O4SeRuCl]; [C33H31O4SRuCl]; and [C33H31O4SeRuCl]. The complexes were thoroughly characterized by analytical and various spectroscopic techniques which include elemental analysis, UV–vis, IR, NMR (1H, 13C, and 77Se NMR), and HR-MS. The interaction studies of these Ru(II) complexes were carried out with CT DNA/HSA by employing UV–vis, fluorescence and circular dichroic techniques in view to examine their chemotherapeutic potential. The complexes demonstrated predominant binding toward CTDNA via electrostatic interaction while, the extent of binding was quantified by calculating intrinsic binding constant (Kb) and binding constant (K) values which revealed higher binding affinity of selenium-based chrysin complexes as compared to their thio-analogs, following the order [C31H35O4SeRuCl]?>?[C33H31O4SeRuCl]?>?[C31H35O4SRuCl]?>?[C33H31O4SRuCl]. Moreover, interaction of these complexes with human serum albumin (HSA) was also investigated which suggested spontaneous interactions of complexes with the protein by hydrogen bonding and van der Waals forces. To visualize the preferential binding sites and affinity of complexes with DNA and HSA molecular docking studies were performed. Additionally, in vitro anticancer activity of the complexes were evaluated by SRB assay on selected cancer cell lines viz., HeLa (cervical), MIA-PA-CA-2 (pancreatic), MCF-7 (breast), Hep-G2 (Hepatoma), and SK-OV-3 (ovarian) which exhibited the superior cytotoxicity of complex [C31H35O4SeRuCl] as compared to other analogs on selective cancer phenotypes.

Communicated by Ramaswamy H. Sarma  相似文献   


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