Journal of Chemical Biology最新文献

{"title":"Last issue of journal of chemical biology.","authors":"Rudiger Woscholski, Banafshe Larijani","doi":"10.1007/s12154-017-0176-x","DOIUrl":"https://doi.org/10.1007/s12154-017-0176-x","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 4","pages":"157"},"PeriodicalIF":0.0,"publicationDate":"2017-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-017-0176-x","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35644535","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"JOCB Bulletin.","authors":"","doi":"10.1007/s12154-017-0175-y","DOIUrl":"https://doi.org/10.1007/s12154-017-0175-y","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 4","pages":"191-194"},"PeriodicalIF":0.0,"publicationDate":"2017-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-017-0175-y","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35644540","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, synthesis, and characterization of 2,2-bis(2,4-dinitrophenyl)-2-(phosphonatomethylamino)acetate as a herbicidal and biological active agent.","authors":"Vijay Kumar,&nbsp;Simranjeet Singh,&nbsp;Rohit Singh,&nbsp;Niraj Upadhyay,&nbsp;Joginder Singh","doi":"10.1007/s12154-017-0174-z","DOIUrl":"https://doi.org/10.1007/s12154-017-0174-z","url":null,"abstract":"<p><p>The present study was designed to synthesize the bioactive molecule 2,2-bis(2,4-dinitrophenyl)-2-(phosphonatomethylamino)acetate (<b>1</b>), having excellent applications in the field of plant protection as a herbicide. Structure of newly synthesized molecule <b>1</b> was confirmed by using the elemental analysis, mass spectrometric, NMR, UV-visible, and FTIR spectroscopic techniques. To obtain better structural insights of molecule <b>1</b>, 3D molecular modeling was performed using the GAMESS programme. Microbial activities of <b>1</b> were checked against the pathogenic strains <i>Aspergillus fumigatus</i> (NCIM 902) and <i>Salmonella typhimurium</i> (NCIM 2501). Molecule <b>1</b> has shown excellent activities against fungal strain <i>A. fumigates</i> (35 μg/l) and bacterial strain <i>S. typhimurium</i> (25 μg/l). To check the medicinal significance of molecule <b>1</b>, interactions with bovine serum albumin (BSA) protein were checked. The calculated value of binding constant of molecule <b>1</b>-BSA complex was 1.4 × 10⁶ M^-1, which were similar to most effective drugs like salicylic acid. More significantly, as compared to herbicide glyphosate, molecule <b>1</b> has exhibited excellent herbicidal activities, in pre- and post-experiments on three weeds; barnyard grass (<i>Echinochloa Crus</i>), red spranglitop (<i>Leptochloa filiformis</i>), and yellow nuts (<i>Cyperus Esculenfus</i>). Further, effects of molecule <b>1</b> on plant growth-promoting rhizobacterial (PGPR) strains were checked. More interestingly, as compared to glyphosate, molecule <b>1</b> has shown least adverse effects on soil PGPR strains including the <i>Rhizobium leguminosarum</i> (NCIM 2749), <i>Pseudomonas fluorescens</i> (NCIM 5096), and <i>Pseudomonas putida</i> (NCIM 2847).</p>","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 4","pages":"179-190"},"PeriodicalIF":0.0,"publicationDate":"2017-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-017-0174-z","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35644539","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design and synthesis of an indol derivative as antibacterial agent against <i>Staphylococcus aureus</i>.","authors":"Hau-Heredia Lenin, Figueroa-Valverde Lauro, Rosas-Nexticapa Marcela, Herrera-Meza Socorro, López-Ramos Maria, Díaz-Cedillo Francisco, García-Cervera Elodia, Pool-Gómez Eduardo, Paat-Estrella Josefa, Cauich-Carrillo Regina, Euan-Hau Saidy","doi":"10.1007/s12154-017-0173-0","DOIUrl":"10.1007/s12154-017-0173-0","url":null,"abstract":"<p><p>Several indole derivatives with antibacterial activity have been prepared using different protocols; however, some require special reagents and conditions. The aim of this study involved the synthesis of some indole derivatives using estrone and OTBS-estrone as chemical tools. The synthesis of the indole derivatives involves reactions such as follows: (1) synthesis of two indol derivatives (<b>4</b> or <b>5</b>) by reaction of estrone or OTBS-estrone with phenylhydrazine in medium acid; (2) reaction of <b>4</b> or <b>5</b> with 6-cloro-1-hexyne in medium basic to form two hexynyl-indol (<b>7</b> or <b>8</b>); (3) preparation of indol-propargylic alcohol derivatives (<b>10</b> or <b>11</b>) by reaction of benzaldehyde with <b>7</b> or <b>8</b> in medium basic; (4) synthesis of indol-aldehydes (<b>12</b> or <b>13</b>) via oxidation of <b>10</b> or <b>11</b> with DMSO; (5) synthesis of indeno-indol-carbaldehyde (<b>15</b> or <b>16</b>) via alkynylation/cyclization of <b>12</b> or <b>13</b> with hexyne in presence of copper(II); (6) preparation indeno-indol-carbaldehyde complex (<b>19</b> or <b>20</b>) via alkynylation/cyclization of <b>12</b> or <b>13</b> with 1-(hex-5-yn-1-yl)-2-phenyl-1<i>H</i>-imidazole. The antibacterial effect exerted by the indol-steroid derivatives against <i>Streptococcus pneumoniae</i> and <i>Staphylococcus aureus</i> bacteria was evaluated using dilution method and the minimum inhibitory concentration (MIC). The results showed that only the compound <b>19</b> inhibit the growth bacterial of <i>S. aureus</i>. In conclusion, these data indicate that antibacterial activity of <b>19</b> can be due mainly to functional groups involved in the chemical structure in comparison with the compounds studied.</p>","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 4","pages":"159-177"},"PeriodicalIF":0.0,"publicationDate":"2017-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5639818/pdf/12154_2017_Article_173.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35644538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Amphotericin B potentiates the anticancer activity of doxorubicin on the MCF-7 breast cancer cells.","authors":"Farzaneh Tavangar, Hamid Sepehri, Marie Saghaeian Jazi, Jahanbakhsh Asadi","doi":"10.1007/s12154-017-0172-1","DOIUrl":"10.1007/s12154-017-0172-1","url":null,"abstract":"<p><p>Despite the improvements in cancer treatment, breast cancer still remains the second most common cause of death from cancer in women. Doxorubicin (DOXO) is widely used for cancer treatment. However, drug resistance limits the treatment outcome. Here, we investigated the toxicity of DOXO in combination with an antifungal agent amphotericin B (AmB) against the MCF-7 breast cancer cell line. The cell viability was measured using MTT assay. The apoptosis was studied by caspase-8 and caspase-9 activity measurements and DNA fragmentation was investigated by TUNEL assay. The combination of two drugs significantly increased the apoptotic index and the caspase-8 and caspase-9 activities in comparison to DOXO-treated cells. Our finding showed that pre-treatment of MCF-7 cells with AmB synergistically exerted the anticancer effect of DOXO through the caspase-dependent apoptosis manner.</p>","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 3","pages":"143-150"},"PeriodicalIF":0.0,"publicationDate":"2017-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5480266/pdf/12154_2017_Article_172.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35151087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"JOCB Bulletin.","authors":"","doi":"10.1007/s12154-017-0171-2","DOIUrl":"https://doi.org/10.1007/s12154-017-0171-2","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 3","pages":"151-155"},"PeriodicalIF":0.0,"publicationDate":"2017-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-017-0171-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35151088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanism of action of selective inhibitors of IL-6 induced STAT3 pathway in head and neck cancer cell lines.","authors":"Malabika Sen,&nbsp;Paul A Johnston,&nbsp;Netanya I Pollock,&nbsp;Kara DeGrave,&nbsp;Sonali C Joyce,&nbsp;Maria L Freilino,&nbsp;Yun Hua,&nbsp;Daniel P Camarco,&nbsp;David A Close,&nbsp;Donna M Huryn,&nbsp;Peter Wipf,&nbsp;Jennifer R Grandis","doi":"10.1007/s12154-017-0169-9","DOIUrl":"https://doi.org/10.1007/s12154-017-0169-9","url":null,"abstract":"<p><p>Studies indicate that elevated interleukin-6 (IL-6) levels engage IL6Rα-gp130 receptor complexes to activate signal transducer and activator of transcription 3 (STAT3) that is hyperactivated in many cancers including head and neck squamous cell carcinoma (HNSCC). Our previous HCS campaign identified several hits that selectively blocked IL-6-induced STAT3 activation. This study describes our investigation of the mechanism(s) of action of three of the four chemical series that progressed to lead activities: a triazolothiadiazine (864669), amino alcohol (856350), and an oxazole-piperazine (4248543). We demonstrated that all three blocked IL-6-induced upregulation of the cyclin D1 and Bcl-X_L STAT3 target genes. None of the compounds exhibited direct binding interactions with STAT3 in surface plasmon resonance (SPR) binding assays; neither did they inhibit the recruitment and binding of a phospho-tyrosine-gp130 peptide to STAT3 in a fluorescence polarization assay. Furthermore, they exhibited little or no inhibition in a panel of 83 cancer-associated in vitro kinase profiling assays, including lack of inhibition of IL-6-induced Janus kinase (JAK 1, 2, and 3) activation. Further, 864669 and 4248543 selectively inhibited IL-6-induced STAT3 activation but not that induced by oncostatin M (OSM). The compounds 864669 and 4248543 abrogated IL-6-induced phosphorylation of the gp130 signaling subunit (phospho-gp130Y₉₀₅) of the IL-6-receptor complex in HNSCC cell lines which generate docking sites for the SH2 domains of STAT3. Our data indicate that 864669 and 4248543 block IL-6-induced STAT activation by interfering with the recruitment, assembly, or activation of the hexamer-activated IL-6/IL-6Rα/gp130 signaling complex that occurs after IL-6 binding to IL-6Rα subunits.</p>","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 3","pages":"129-141"},"PeriodicalIF":0.0,"publicationDate":"2017-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-017-0169-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35151086","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bioactive M(II) complexes of amino acid-based N₃O donor mixed ligand: in vitro and in silico DNA binding studies.","authors":"T Daniel Prakash,&nbsp;V Violet Dhayabaran","doi":"10.1007/s12154-017-0170-3","DOIUrl":"https://doi.org/10.1007/s12154-017-0170-3","url":null,"abstract":"<p><p>Three novel mixed ligand M(II) complexes, namely [CoL¹L²Cl₂] (<i>1</i>), [CuL¹L²Cl₂] (<i>2</i>), and [ZnL¹L²Cl₂] (<i>3</i>), were synthesized using 1,4-naphthoquinone, L-histidine, and 1,10-phenanthroline as ligands. The ligand framework and the corresponding structural changes on complexation were ascertained based on the results of elemental analysis, conductivity measurements, magnetic behavior, FT-IR, UV-visible, ¹H NMR, ¹³C NMR, ESR spectral studies, and ESI mass spectrometry. The biological action of the ligand (<i>L</i>) and complexes <i>1</i>-<i>3</i> such as DNA binding and cleaving ability were studied. Results suggest that the ligand and the complexes could interact with calf thymus-DNA (CT-DNA) via intercalation mode. Additionally, complex <i>2</i> displayed potential antioxidant activity in in vitro studies. Docking simulation was performed to position the ligand and the complexes into the active site of BDNA (IBNA) to determine the probable binding mode.</p>","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 3","pages":"117-127"},"PeriodicalIF":0.0,"publicationDate":"2017-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-017-0170-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35151085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of <i>tert</i>-butyl (substituted benzamido)phenylcarbamate derivatives: anti-inflammatory activity and docking studies.","authors":"Shankar Bhookya, Jalapathi Pochampally, Anil Valeru, Vianala Sunitha, Saikrishna Balabadra, Vijjulatha Manga, Karunakar Rao Kudle","doi":"10.1007/s12154-017-0168-x","DOIUrl":"10.1007/s12154-017-0168-x","url":null,"abstract":"<p><p>A series of new <i>tert</i>-butyl 2-(substituted benzamido) phenylcarbamate <b>(4a</b>-<b>4j)</b> were synthesized by the condensation of <i>tert</i>-butyl 2-amino phenylcarbamate (<b>3</b>) with various substituted carboxylic acid in the presence of EDCI and HOBt as coupling reagent, obtain in excellent yields. The structures of all newly synthesized compounds were characterized spectroscopically and evaluated for in vivo anti-inflammatory activity compared to the standard drug, indomethacin, by using the carrageenan-induced rat paw edema protocol. Most of the compounds exhibited a promising anti-inflammatory activity within 9 to 12 h, the percentage of inhibition values ranging from 54.239 to 39.021%. The results revealed that the compounds <b>4i</b> and <b>4a</b> exhibited better or equivalent anti-inflammatory activity with the percentage of inhibition of 54.239 and 54.130%, respectively, which was comparable to standard drug. In addition to experimental results, in silico docking studies was used as a tool to verify and expand the experimental outcomes.</p>","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 3","pages":"105-115"},"PeriodicalIF":0.0,"publicationDate":"2017-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5480262/pdf/12154_2017_Article_168.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35151084","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular docking, PASS analysis, bioactivity score prediction, synthesis, characterization and biological activity evaluation of a functionalized 2-butanone thiosemicarbazone ligand and its complexes.","authors":"Tahmeena Khan,&nbsp;Shalini Dixit,&nbsp;Rumana Ahmad,&nbsp;Saman Raza,&nbsp;Iqbal Azad,&nbsp;Seema Joshi,&nbsp;Abdul Rahman Khan","doi":"10.1007/s12154-017-0167-y","DOIUrl":"https://doi.org/10.1007/s12154-017-0167-y","url":null,"abstract":"<p><p>2-Butanone thiosemicarbazone ligand was prepared by condensation reaction between thiosemicarbazide and butanone. The ligand was characterized by ¹H NMR, ¹³C NMR, FT-IR, mass spectrometry and UV spectroscopic studies. Docking studies were performed to study inhibitory action against topoisomerase II (Topo II) and ribonucleoside diphosphate reductase (RR) enzymes. Inhibition constants (<i>K</i>_<i>i</i> ) of the ligand were 437.87 and 327.4 μM for the two enzymes, respectively. The ligand was tested for its potential anticancer activity against two cancer cell lines MDA-MB-231 and A549 using MTT assay and was found to exhibit good activity at higher doses with an IC₅₀ = 80 μM against human breast cancer cell line MDA-MB-231. On the other hand, no significant activity was obtained against the lung carcinoma cell line A549. Antibacterial activity of the ligand was tested against <i>Staphylococcus aureus</i> and <i>E. coli</i> using the disc diffusion method. Ligand did not exhibit any significant antibacterial activity. Four complexes of Co(III), Fe(II), Cu(II), and Zn(II) were prepared with the ligand and characterized by various spectroscopic studies. Low molar conductance values were obtained for all complexes displaying non-electrolyte nature except in Co(III) complex. As expected, complexation with metal ions significantly increased the cytotoxicity of the ligand against the tested cell lines viz. IC₅₀ values of <20 μM for Co, Fe, and Zn complexes and approx. 80 μM against MDA cells versus IC₅₀ value of <20 μM for Co and Cu complexes and that of 30 and 50 μM for Fe and Zn complexes, respectively, against A549 cells. The Cu complex was found to be active against <i>E. coli</i> and <i>S. aureus</i> with MIC values in the range of 6-10 mg/mL. Other than Cu, only Co complex was found to possess antibacterial activity with MIC values of 5-10 mg/mL when tested against <i>S. aureus</i>. Bioactivity score and Prediction of Activity Spectra for Substances (PASS) analysis also depicted the drug-like nature of ligand and complexes.</p>","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 3","pages":"91-104"},"PeriodicalIF":0.0,"publicationDate":"2017-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-017-0167-y","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35151083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}