Ajuganane: a new phenolic compound from Ajuga bracteosa

Phytochemical investigation of Ajuga bracteosa Wall ex Benth. (Labiatae) resulted in the isolation of a new phenolic compound, ajuganane (1) and three known compounds, 3,4'-dihydroxy-3,6,7-trimethoxyflavone, 7-hydroxy-3,6,3',4'-tetramethoxyflavone and ursolic acid. The structure of the new compound was elucidated by detailed spectroscopic (1H, 13C NMR, COSY, HMQC, HMBC), and HR-EI-MS analysis.     

Pyrolytical characterization of transition metal complexes of cobalt,nickel, copper and zinc with ethylenediamine-<Emphasis Type="Italic">N,N</Emphasis>′-diacetate

A series of octahedral complexes, [M(EDDA)(H₂O)₂] · H₂O (where, M⁺² = Co(II), Cu(II), Ni(II) and Zn(II); EDDA, ethylenediamine-N,N′-diacetate), was prepared and studied by means of thermogravimetry (TG) and differential thermal analysis (DTA). Their compositions were investigated by elemental analysis in order to ensure their purity and structural elucidation was based on spectral and magnetic properties. Thermal decomposition of these distorted octahedral complexes, [Ni(EDDA)(H₂O)₂], [Co(EDDA)(H₂O)₂] · H₂O, [Cu(EDDA)(H₂O)₂] · H₂O and [Zn(EDDA)(H₂O)₂] · H₂O came of in one, two, three and four steps, respectively, upon heating to 800 °C, with the loss of organic and inorganic fragments. Ligand decomposed in three steps. The thermal degradation of all the complexes in static air atmosphere started at temperatures lower than those observed for the free ligand degradation (Ni-complex being the only exception). The composition of intermediates formed during degradation was confirmed by microanalysis and IR spectroscopy. The residues corresponded to metal oxide except for Ni(II) and Zn(II) complexes. It was found that thermal stability of the complexes increased in the following sequence:

Synthesis of isoniazid-1,2,3-triazole conjugates: Antitubercular,antimicrobial evaluation and molecular docking study

In the present study, a series of new isoniazid-1,2,3-triazole conjugates ( 5a-k ) was synthesized via click chemistry approach. The newly synthesized compounds were assessed for their in vitro antitubercular and antimicrobial activities. The compound 5g has displayed potent antitubercular activity against Mycobacterium tuberculosis H37Rv (Mtb) with MIC value 1.56 μg/mL. The active compounds were screened for their cytotoxicity profile by MTT assay against RAW 264.7 cell line. The four compounds have shown good in vitro antimicrobial activities against both antibacterial and antifungal pathogens. A molecular docking study was accomplished to identify the probable mode of action of synthesized derivatives. These compounds have shown excellent binding affinity toward Enoyl-acp reductase (INHA) and DNA gyrase.     

Synthesis of new boswellic acid derivatives as potential antiproliferative agents

Abstract

In the current investigation, a series of heterocyclic derivatives of boswellic acids were prepared along with new monomers of 3-O-acetyl-11-keto-β-boswellic acid (AKBA, 1) 11-keto-β-boswellic acid (KBA, 2) and several new bis-AKBA and KBA homodimers and AKBA-KBA heterodimers. The effects of these compounds on the proliferation of different human cancer cell lines, viz., FaDu (pharynx carcinoma), A2780 (ovarian carcinoma), HT29 (colon adenocarcinoma), and A375 (malignant melanoma), have been evaluated. Thus, KBA homodimer 21 effectively inhibited the growth of FaDu, A2780, HT29, and A375 cells with EC₅₀ values below 9?μM. In addition, compounds 7, 8, 11, 12, 15, 16, and 17 also exhibited cytotoxic effects for A2780, HT29, and A375 cancer cells. In particular, the pyrazine analog 8 was highly cytotoxic for A375 cancer cells with an EC₅₀ value of 2.1?μM.     

Synthesis and Urease Inhibition Studies of Barbituric and Thiobarbituric Acid Derived Sulphonamides

Various novel barbituric and thiobarbituric acid derived sulphonamides were synthesized in excellent yield via three components single pot reaction; and these were screened for in vitro urease inhibition studies against jack bean urease. The compounds 1‐7 were found to exhibit a low to moderate activity whereas compounds 8‐14 showed a significant activity (88.3‐99.9% inhibition determined at 500 μM concentration). Structures of the synthesized compounds were confirmed by ¹H‐NMR, ¹³C‐NMR, mass spectrometry and elemental analysis data.     

Chemical composition and in vitro anticancer,antimicrobial and antioxidant activities of essential oil and methanol extract from Rumex nervosus

Chemical composition, antioxidant, anticancer, and antimacrobial activities of essential oil obtained from leaves of Rumex nervosus has been evaluated here for the first time. GC/MS analysis reveals the presence of Palmitoleic Acid (28.35%) and Palmitic acid, (25. 37%) as their methyl ester as major components. The essential oil showed significant DPPH radical scavenging activity (94.907 ± 0.1089% and 94.003 ± 0.0749%) at concentration (100 and 80) μg/mL respectively. The oil showed promising activity against staph aureus, while showed weak activity against (Hela and 3T3) cell lines. The crude extract / fractions of R. nervosus (leaves) showed significant antioxidant activity at dose (100 and 80) μg/mL. Futhermore the crude showed significant activity against (MCF-7 and MDA-MB-231) cell lines with IC₅₀ (20.5138 ± 0.933 and 25.1728 ± 0.9176) μg/mL respectively, and chloroform fraction showed good activity against (MCF-7 and MDA-MB-231) cell lines with IC₅₀ (31.154 ± 0.965 and 42.269 ± 2.1045) μg/mL.     

A facile isoelectric focusing of myoglobin and hemoglobin used as markers for screening of chicken meat quality in China

A novel analytical protocol was developed for general quality screening of chicken meat based on IEF and protein extraction. To demonstrate the developed protocol, 24 chickens were divided into three groups; each had eight chickens. The chickens in Group 1 were slaughtered by exsanguination, Group 2 asphyxiated in water, and that in Group 3 were infected by new castle disease virus. Proteins were extracted from the meat samples by using pure water as an extractant, separated by IEF, verified by western blot, and quantified via imaging analysis. The relevant experiments demonstrated that two myoglobin (Mb) bands were detected at pI 6.8 and 7.04 for all samples of Groups 1, 2, and 3, but there were additional hemoglobin (Hb) bands at pI 7.09 and 7.13 (P < 0.05) for the samples of Groups 2 and 3. The results implied that Hb bands might be a potential biomarker for the screening of chicken meat quality. The RSD values of two Mb bands (pI 6.8 and 7.04) in Group 1 were respectively 4.08 and 3.63%, the ones of two Hb bands (pI 7.09 and 7.13) in Group 2 were 3.66 and 2.10%, and those in Group 3 were 2.17% and 2.77%, respectively. All the RSD values indicated high stability and reliability of the developed protocol. Additionally, the protocol had a direct readout of protein bands in IEF without staining. However, it was time‐consuming and had high cost. Even so, the relevant general method and finding have potential for screening of chicken meat quality.     

Synthesis,spectroscopic characterization,and biological activity studies of organotin(IV) derivatives of (E)‐3‐(3‐fluorophenyl)‐2‐phenyl‐2‐propenoic acid. Crystal and molecular structure of Et2Sn[OCOC(C6H5)CH(3‐FC6H4)]

The complexes Me₂SnL₂ ( I ), Me₃SnL ( II ), Et₂SnL₂ ( III ), n‐Bu₂SnL₂ ( IV ), n‐Bu₃SnL ( V ), n‐Oct₂SnL₂ ( VI ), Bz₂SnL₂ ( VII ), and Ph₃SnL ( VIII ), where “L” is ( E )‐3‐(3‐fluorophenyl)‐2‐phenyl‐2‐propenoate, have been prepared and structurally characterized by means of elemental analysis, infrared, mass, and multinuclear (¹H, ¹³C, ¹¹⁹Sn) NMR spectral techniques. The spectroscopic results showed that the geometry around the Sn atom in triorganotin(IV) derivatives is four‐coordinated in noncoordinating solvent and behaves as five‐coordinated linear polymers with bridging carboxylate groups or five‐coordinated monomers, both acquiring trans‐R₃SnO₂ geometry for Sn in the solid state. While all the diorganotin(IV) derivatives may acquire trigonal bipyramidal structures in solution due to collapse of the Sn←OCO interaction and octahedral geometries in the solid state, which have been confirmed by the X‐ray crystallographic data of the compound III . The crystal structure of Et₂SnL₂ ( III ) has been determined by X‐ray crystallography and is found skew‐trapezoidal bipyramidal, which substantiates that the ligand acts as an anisobidentate chelating agent, thus rendering the Sn atom six coordinated. The crystal is monoclinic with space group C2₁/n. All the investigated compounds have also been screened for biocidal and cytotoxicity data. © 2006 Wiley Periodicals, Inc. Heteroatom Chem 17:420–432, 2006; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20243     

Unusual Structural Features in the Lysozyme Derivative of the Tetrakis(acetato)chloridodiruthenium(II,III) Complex

The reaction between the paddle‐wheel tetrakis(acetato)chloridodiruthenium(II,III) complex, [Ru₂(μ‐O₂CCH₃)₄Cl] and hen egg‐white lysozyme (HEWL) was investigated through ESI‐MS and UV/Vis spectroscopy and the formation of a stable metal–protein adduct was unambiguously demonstrated. Remarkably, the diruthenium core is conserved in the adduct while two of the four acetate ligands are released. The crystal structure of this diruthenium–protein derivative was subsequently solved through X‐ray diffraction analysis to 2.1 Å resolution. The structural data are in agreement with the solution results. It was found that HEWL binds two diruthenium moieties, at Asp101 and Asp119, respectively, with the concomitant release of two acetate ligands from each diruthenium center.