Anticancer, antioxidant, and antimicrobial studies and molecular docking of a new hexanuclear Zn(II) complex, together with its X-ray crystal analysis.

A new hexanuclear Zn(II) complex with the ligand 2,2'-(piperazine-1,4-diyl)bis(ethan-1-amine), [L3Zn6(OH)6][ClO4]6·3MeOH·7H2O, was synthesized. The crystal structure of this complex showed that each Zn atom is in a distorted tetrahedral coordination environment, surrounded by two nitrogen atoms from each ligand and two hydroxide groups, each of which bridges to another Zn atom. The anticancer activities of the ligand and its metal complex against the breast cancer cell line (MCF-7) indicated that the zinc complex had a greater anticancer activity. The free ligand and its metal complex were evaluated for antioxidant activity using the DPPH scavenging method. In addition, the antibacterial activities of both compounds were screened against Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria. The interaction of these compounds with DNA and AChE was also investigated using molecular docking.

Molecular docking and biological activities of Ni(II), Cu(II) and Co(II) complexes with a new potentially hexadentate polyamine ligand; X-ray crystal structure of the Cu(II) complex.

Three new metal complexes have been obtained from the reaction of a new polyamine (L) with Ni(II), Cu(II), and Co(II) ions. The X-ray structural analysis of the Cu(II) complex shows that the copper atom is in a very distorted square pyramidal environment, coordinated by five of the six nitrogen donor atoms of the potentially hexadentate ligand. To evaluate the biological potential of the ligand and the synthesized metal complexes, their binding behavior with DNA was studied by molecular modeling methods. The Molecular docking studies showed that the free ligand and its complexes were bound to the major groove of DNA. The antioxidant activities of the ligand and its metal complexes were also assessed, in vitro, using 2,2-diphenyl-1-picrylhydrazyl. The synthesized compounds were tested for activity against lung carcinoma epithelial cells (A549) using the MTT cell viability assay. A comparative study of the IC50 values indicated that the Cu(II) complex exhibited the highest activity, while the Co(II) and Ni(II) complexes showed more potent antiproliferative activity than the ligand. The antibacterial activities of the synthesized complexes were evaluated using micro-broth dilution and disk diffusion methods. The complexes showed greater antibacterial activity than the free ligand.Communicated by Ramaswamy H. Sarma.

Unexpected synthesis of 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl-H-sulfite as a catalyst for the synthesis of pyrazolophthalazines.

Several attempts for preparation of 4,4'-(2-thioxoimidazolidine-1,3-diyl)bis(butane-1-sulfonic acid) were not successful despite taking 2 mmol of 1,4-butane sultone in reaction with 1 mmol of imidazolidine-2-thione. Instead, 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl hydrogen sulfite (DISBHS) was prepared unexpectedly, characterized and used for the synthesis of diverse pyrazolophthalazines from the one-pot three component condensation reaction of phthalhydrazide, malononitrile and aldehydes under mild conditions.

The X-ray crystal structures, molecular docking and biological activities of two novel Cu(II) and Zn(II) complexes with a ligand having a potentially N4O2 donor set and two nitro phenyl rings as pendant arms.

A new ligand (L) containing two nitro phenyl rings as side chains was synthesized. The reaction of this ligand with copper(II) and zinc(II) metal ions gave complexes with different coordination environments. The free ligand and the metal complexes were characterized using a number of spectroscopic methods. The crystal structure of [ZnLBr]ClO4 showed that the Zn(II) ion was in a distorted square pyramidal environment. The crystal structure of [CuL](ClO4)2 showed that the Cu(II) ion is in a tetragonally distorted octahedral environment. Molecular docking studies with DNA indicated that the binding of L, [ZnLBr]ClO4 and [CuL](ClO4)2 involved the major groove of DNA, H-bonds and Vander Waals interactions. In contrast, the molecular docking of L, [ZnLBr]ClO4 and [CuL](ClO4)2 with human glutathione reductase (GR) showed that the dominant interactions of these compounds with GR were H-bonding, vander Waals and hydrophobic interactions. The antioxidant activity of the synthesized complexes was analyzed by the free radical scavenging activity using 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay with [CuL](ClO4)2 showing maximum activity. In addition, in vitro anticancer activity of the complexes against human breast MCF-7 cancer cell line was confirmed through 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium (MTT) assay. All compounds showed a dose-dependent inhibitory effect on the growth of breast cancer cells with the inhibition activity of [CuL](ClO4)2 being more active than the other synthesized compounds. Furthermore, results from the antibacterial activity screening of the compounds against two Gram-positive and Gram-negative pathogenic bacteria by the micro-broth dilution and disk diffusion methods indicated that [CuL](ClO4)2 complex had the strongest antibacterial potential.

Green synthesis and biological activities assessment of some new chromeno[2,3-b]pyridine derivatives.

Magnetite nanoparticles (MNPs) composed of γ-Fe2O3 and hydroxyapatite (HAp) were modified by hexamethylen-1,6-diisocyanate (HMDI) followed by thiourea dioxide and used as recyclable catalyst for the synthesis of some newly derivatives of chromeno[2,3-b]pyridine. The products were synthesized in excellent yields via one-pot three-component reactions of 3-cyano-6-hydroxy-4-methyl-pyridin-2(1H)-one with aldehydes and dimedone under solvent-free conditions. The successful synthesis of products were confirmed using Fourier transform infrared (FTIR), proton/carbon nuclear magnetic resonance (1H/13C NMR), and mass spectroscopies as well as physical data (e.g., melting points and elemental composition). The in vitro antioxidant and antifungal activities of the synthesized samples were evaluated using scavenging effects on 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical and potato dextrose agar (PDA) medium, respectively. Based on results, the chromeno[2,3-b]pyridine derivatives exhibited excellent biological activities that qualified them for biomedical applications.

Identification of the Complex Interplay Between Nematode-Related lncRNAs and Their Target Genes in Glycine max L.

Soybean (Glycine max) is a major plant protein source and oilseed crop. However, plant-parasitic nematodes (PPNs) affect its annual yield. In the current study, in order to better understand the regulation of defense mechanism against PPNs in soybean, we investigated the role of long non-coding RNAs (lncRNAs) in response to two nematode species, Heterodera glycines (SCN: soybean cyst nematode) and Rotylenchulus reniformis (reniform). To this end, two publicly available RNA-seq data sets (SCN data set and RAD: reniform-associated data set) were employed to discover the lncRNAome profile of soybean under SCN and reniform infection, respectively. Upon identification of unannotated transcripts in these data sets, a seven-step pipeline was utilized to sieve these transcripts, which ended up in 384 and 283 potential lncRNAs in SCN data set and RAD, respectively. These transcripts were then used to predict cis and trans nematode-related targets in soybean genome. Computational prediction of target genes function, some of which were also among differentially expressed genes, revealed the involvement of putative nematode-responsive genes as well as enrichment of multiple stress responses in both data sets. Finally, 15 and six lncRNAs were proposed to be involved in microRNA-mediated regulation of gene expression in soybean in response to SNC and reniform infection, respectively. Collectively, this study provides a novel insight into the signaling and regulatory network of soybean-pathogen interactions and opens a new window for further research.

Silver nanoparticle pollutants activate oxidative stress responses and rosmarinic acid accumulation in sage.

In this study, physiological and molecular responses of sage (Salvia officinalis) to silver nanoparticles (SNPs) were studied. It is supposed that sage oxidative responses can be activated to overcome the negative effects of SNPs. Results showed the penetration of SNPs via leaf epidermis into the parenchyma cells after foliar application. A significant decrease of photosynthetic pigments and increase of cell injury indicators, the activity of enzymatic antioxidants and also the content of non-enzymatic antioxidants were observed after exposure of sage plants to 50 and 1000 mg l-1 SNPs compared to control plants. Phenolic compounds generally increased, but not in linear response to the dose level. The most abundant phenolic acid, rosmarinic acid (RA), increased more than eightfold at 100 mg l-1 SNPs. Furthermore, the content of RA, salvianolic acid A and B was positively correlated with the activity of phenylalanine ammonia-lyase and RA synthase, but not with tyrosine aminotransferase. It could be concluded that the content of phenolic compounds increased in response to lower SNPs concentrations (50 and 100 mg l-1 ). However, the oxidative stress responses continued above these concentrations.

Resistance of some commercial walnut cultivars and genotypes to Aceria tristriata (Nalepa) (Acari: Eriophyidae) and its correlation with some plant features.

BACKGROUND: The walnut leaf gall mite (WLGM) (Aceria tristriata (Nalepa)) is one of the major pests of walnut in western Iran. The use of a resistant variety is an economical and environment-friendly method of pest control. The aim of the present study is to assess resistance of some walnut cultivars and genotypes in relation to WLGM. Also, the current research aimed to study a possible correlation between resistance with plant morphological and biochemical features. RESULTS: Based on the leaf damage index (number of galls per leaf and plant, the percentage of infested leaves and the percentage of leaf injury area) induced by WLGM, the studied cultivars and genotypes were classified into four groups from susceptible to approximately resistant. Free-choice experiments indicated that Jamal and Chandler cultivars were colonized by lower densities of WLGM, whereas Seedling, Hartly, Lara and Z60 hosted denser populations. In antibiosis assay, the highest mite density was created in the galls on the leaves of Seedling and Hartly, whereas lowest mite density was observed in galled leaves of Chandler and Jamal cultivars. CONCLUSION: Results from biochemical assays showed that nearly all evaluated biomarkers had negative correlation with number of galls per leaf and mite density. Generally, resistant cultivars (Chandler, Jamal and Pedro) significantly produced defensive compounds more than those of controls after mite infestation. Also, it is worth noting that, the content of photosynthetic pigments significantly reduced in susceptible cultivars after mite infestation. The obtained results from this study can be useful for provisional resistance screening. © 2019 Society of Chemical Industry.

The protective effects of Arctium lappa L. Extract on testicular injuries induced by ethanol in rats.

The aim of this study is to assess the antioxidant activity and also protective effects of Arctium lappa L. (AL) extract on ethanol-induced testicular injuries in rats. In addition, the total phenol and flavonoid contents of the methanolic extracts were analysed and the antioxidant activity of the extract was investigated. The studied extract possessed strong antioxidant activity (IC50 ; 0.113 ± 0.007 mg/ml) and exhibited more active than the ascorbic acid (IC50 ; 0.142 ± 0.002 mg/ml). The histological examinations revealed that the co-administration of ethanol and AL extract inhibits the testicular injuries, alterations in superoxide dismutase (SOD) activity, and H2 O2 and malondialdehyde (MDA) levels were observed in ethanol-treated rats in comparison to the control group. The obtained results demonstrated strong pharmaceutical activities of AL and its potential capacity to be developed as a new health-care supplement against ROS-related substances.

A new species of Neopronematus and a re-description of Pronematus rykei Meyer & Rodrigues (Acari: Iolinidae) from Iran.

Neopronematus iranensis sp. nov. is described and illustrated and the female and male of Pronematus rykei (Meyer & Rodrigues, 1966) are re-described and reported for the first time from Iran. These species were collected from walnut leaves infested by leaf blister mite, Aceria tristriatus, (Nalepa, 1890), in Hamedan and Lorestan provinces, Iran. Furthermore, a key to all known species of Neopronematus is provided.

Protective potency of Meristotropis xanthioides against nephrotoxicity in a rat model along with its antioxidant and antibacterial activities.

OBJECTIVE: To investigate nephroprotective potential of Meristotropis xanthioides (M. xanthioides) extract against ethanol-induced nephrotoxicity in Wistar rats, and also its total phenolics content, antioxidant and antibacterial activities. METHODS: Total phenol and flavonoid amounts of the leaf and stem extracts were determined by Folin-Ciocalteu and aluminum chloride reagents, respectively. Antioxidant and antibacterial activities of the extracts were investigated by 2,2-diphenyl-1-picrylhydrazyl radical scavenging and disc diffusion methods, respectively. In addition, protective potential of the leaf extract against ethanol-induced nephrotoxicity was studied by histological and biochemical analyses. RESULTS: Obtained results indicated high total phenol [(10.26 ± 0.46) mg GAE/g of dry extract] and flavonoid [(3.63 ± 0.62) mg QE/g of dry extract] amounts in the leaf extract. The leaf and stem extracts possessed stronger antioxidant activity [IC50: (0.119 ± 0.006) mg/mL and IC50: (0.133 ± 0.009 mg/mL)] than that of ascorbic acid [IC50: (0.142 ± 0.002) mg/mL]. Also, the extracts showed good antibacterial activity against the most of bacteria taken in this research, especially Gram-positive ones. Histological examinations revealed tissue injury in the kidney of rats treated with ethanol. Results from biochemical assays showed reduction in total protein content and also in superoxide dismutase activity. In addition, remarkable increased levels (P < 0.05) of H2O2 and malondialdehyde were found in ethanol-treated rats in comparison to control group. However, these injuries were significantly improved in rats treated by M. xanthioides leaf extract. CONCLUSIONS: Results from present study demonstrates strong pharmaceutical potential of M. xanthioides extract to apply as a new drug supplement.

Synthesis and characterization of novel simultaneous C and O-coordinated and nitrate-bridged complexes of silver(I) with carbonyl-stabilized sulfonium ylides and their antibacterial activities.

Reaction of sulfonium ylides (Me)(2)SCHC(O)C(6)H(4)R (R = H; m-NO(2); p-NO(2); p-OMe; p-Me and p-Br) with AgNO(3) in dichloromethane leads to various compounds. Single crystal X-ray diffraction analysis reveals that the adducts take 3 forms: (i) two-dimensional polymer, [AgNO(3)(Me(2)SCHC(O)C(6)H(5))](n) (1), with nitrate bridges in which each nitrate coordinates to three silver atoms through two oxygen atoms and two Me(2)SCHC(O)C(6)H(5) ligands coordinate to silver centers through carbon atoms; (ii) cationic binuclear, [Ag(Me(2)SCHC(O)C(6)H(4)-m-NO(2))(2)](2)(NO(3))(2)·2H(2)O (2), in which Me(2)SCHC(O)C(6)H(4)-m-NO(2) ligands simultaneously coordinate through both carbon and oxygen atoms with nitrate as a counter ion, and (iii) cationic mononuclear and anionic binuclear, [Ag(Me(2)SCHC(O)C(6)H(4)-p-NO(2))(2)](2)[{AgNO(3)(µ-NO(3)) (Me(2)SCHC(O)C(6)H(4)-p-NO(2))}(2)]·2CH(3)OH (3), in which nitrate groups act as bridging as well as terminal ligands, and Me(2)SCHC(O)C(6)H(4)-p-NO(2) ligands display C-coordination. Characterization of the obtained compounds was also performed by infrared, (1)H- and (13)C-NMR spectroscopy and analytical data indicated a 1 : 2 stoichiometry between the silver(I) nitrate and ylide p-OMe (4) and 1 : 1 for ylides p-Me (5) and p-Br (6). In addition, the antibacterial effects of DMSO-solutions of complexes 1-6 were evaluated by the agar disc diffusion method against three Gram positive and three Gram negative bacteria. All complexes displayed antibacterial activity against these bacteria, with high levels of inhibitory potency exhibited against the Gram negative species.

Somatic embryogenesis and plant regeneration from protoplast culture of Crocus pallasii subsp. haussknechtii.

A protocol has been developed for plant regeneration from protoplast culture of Crocus pallasii subsp. haussknechtii using regenerable embryogenic calli obtained from shoot meristem culture on MS+9.28 microM kinetin+4.52 microM 2,4-D. Protoplasts were isolated directly from embryogenic calli, embedded in Ca-alginate beads and cultured with nurse cells in MS+4.64 microM kinetin+4.52 microM 2,4-D+5.68 microM ascorbic acid+0.3 M mannitol at 20 +/- 2 degrees C in darkness. After appearing ofmicrocalli on the surface of the beads, they were transferred onto 1/2MS+2.32 microM kinetin+2.26 microM 2,4-D+5.68 microM ascorbic acid for growth of embryogenic calli. Somatic embryos matured on MS medium growth regulator free and germinated on 1/2MS+14.45 microM GA3 +4.43 microM BA at 20 +/- 2 degrees C in a 16/8 h light/dark cycle.