Journal of Chemical Biology最新文献

{"title":"JOCB Bulletin.","authors":"","doi":"10.1007/s12154-017-0166-z","DOIUrl":"https://doi.org/10.1007/s12154-017-0166-z","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 2","pages":"85-90"},"PeriodicalIF":0.0,"publicationDate":"2017-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-017-0166-z","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"34909542","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 a new steroid-macrocyclic derivative with biological activity.","authors":"Maria López-Ramos, Lauro Figueroa-Valverde, Socorro Herrera-Meza, Marcela Rosas-Nexticapa, Francisco Díaz-Cedillo, Elodia García-Cervera, Eduardo Pool-Gómez, Regina Cahuich-Carrillo","doi":"10.1007/s12154-017-0165-0","DOIUrl":"10.1007/s12154-017-0165-0","url":null,"abstract":"<p><p>The aims of this study were to evaluate the positive inotropic effect of a new macrocyclic derivative (compound <b>11</b>) and characterize the molecular mechanism involved in its biological activity. The first step was achieved by synthesis of a macrocyclic derivative involving a series of reactions for the preparation of several steroid derivatives such as (a) steroid-pyrimidinone (<b>3</b> and <b>4</b>), (b) steroid-amino (<b>5</b>), (c) steroid-imino (<b>6</b>), (d) ester-steroid (<b>7</b> and <b>8</b>), and (e) amido-steroid (<b>9</b> and <b>10</b>). Finally, <b>11</b> was prepared by removing the <i>tert</i>-butyldimethylsilane fragment of <b>10</b>. The biological activity of compounds on perfusion pressure and vascular resistance was evaluated on isolated rat heart using the Langendorff model. The inotropic activity of <b>11</b> was evaluated in presence of prazosin, metoprolol, indomethacin, nifedipine, and flutamide to characterize its molecular mechanism. Theoretical experiments were carried out with a Docking model, to assess potential interactions of androgen receptor with <b>11</b>. The results showed that only this macrocyclic derivative exerts changes on perfusion pressure and vascular resistance translated as the positive inotropic effect, and this effect was blocked with flutamide; these data indicate that the positive inotropic activity induced by this macrocyclic derivative was via androgen receptor activation. The theoretical results indicated that the interaction of the macrocyclic derivative with the androgen receptor involves several amino acid residues such as Leu₇₀₄, Asn₇₀₅, Met₇₈₀, Cys₇₈₄, Met₇₄₉, Leu₇₆₂, Phe₇₆₄, Ser₇₇₈, and Met₇₈₇. In conclusion, all these data suggest that the positive inotropic activity of the macrocyclic derivative may depend on its chemical structure.</p>","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 2","pages":"69-84"},"PeriodicalIF":0.0,"publicationDate":"2017-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5374095/pdf/12154_2017_Article_165.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"34909541","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":"Antifungal and anthelmintic activity of novel benzofuran derivatives containing thiazolo benzimidazole nucleus: an in vitro evaluation","authors":"R. Kenchappa, Y. Bodke, S. Telkar, M. Aruna Sindhe","doi":"10.1007/s12154-016-0160-x","DOIUrl":"https://doi.org/10.1007/s12154-016-0160-x","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"13 1","pages":"11-23"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87140112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identification of proteins from wild cardoon flowers (Cynara cardunculus L.) by a proteomic approach","authors":"Amal Ben Amira, J. Bauwens, E. De Pauw, S. Besbes, H. Attia, F. Francis, C. Blecker","doi":"10.1007/s12154-016-0161-9","DOIUrl":"https://doi.org/10.1007/s12154-016-0161-9","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"11 1","pages":"25-33"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83069797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"JOCB Bulletin","authors":"","doi":"10.1007/s12154-016-0163-7","DOIUrl":"https://doi.org/10.1007/s12154-016-0163-7","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"96 1","pages":"45-49"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91175922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Is phosphatidylglycerol essential for terrestrial life?","authors":"S. Furse","doi":"10.1007/s12154-016-0159-3","DOIUrl":"https://doi.org/10.1007/s12154-016-0159-3","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"49 1","pages":"1-9"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77949492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Targeting the ubiquitin-conjugating enzyme E2D4 for cancer drug discovery-a structure-based approach.","authors":"Vishwanath Ramatenki,&nbsp;Ramakrishna Dumpati,&nbsp;Rajender Vadija,&nbsp;Santhiprada Vellanki,&nbsp;Sarita Rajender Potlapally,&nbsp;Rohini Rondla,&nbsp;Uma Vuruputuri","doi":"10.1007/s12154-016-0164-6","DOIUrl":"https://doi.org/10.1007/s12154-016-0164-6","url":null,"abstract":"<p><p>Cancer progression is a global burden. The incidence and mortality now reach 30 million deaths per year. Several pathways of cancer are under investigation for the discovery of effective therapeutics. The present study highlights the structural details of the ubiquitin protein 'Ubiquitin-conjugating enzyme E2D4' (UBE2D4) for the novel lead structure identification in cancer drug discovery process. The evaluation of 3D structure of UBE2D4 was carried out using homology modelling techniques. The optimized structure was validated by standard computational protocols. The active site region of the UBE2D4 was identified using computational tools like CASTp, Q-site Finder and SiteMap. The hydrophobic pocket which is responsible for binding with its natural receptor ubiquitin ligase CHIP (C-terminal of Hsp 70 interacting protein) was identified through protein-protein docking study. Corroborating the results obtained from active site prediction tools and protein-protein docking study, the domain of UBE2D4 which is responsible for cancer cell progression is sorted out for further docking study. Virtual screening with large structural database like CB_Div Set and Asinex BioDesign small molecular structural database was carried out. The obtained new ligand molecules that have shown affinity towards UBE2D4 were considered for ADME prediction studies. The identified new ligand molecules with acceptable parameters of docking, ADME are considered as potent UBE2D4 enzyme inhibitors for cancer therapy.</p>","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"10 2","pages":"51-67"},"PeriodicalIF":0.0,"publicationDate":"2016-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-016-0164-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"34909540","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":"Influence of organic solvents on the structural and thermal characteristics of silk protein from the web of Orthaga exvinacea Hampson (Lepidoptera: Pyralidae)","authors":"S. Narayanan, M. Gokuldas","doi":"10.1007/S12154-016-0158-4","DOIUrl":"https://doi.org/10.1007/S12154-016-0158-4","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"73 1","pages":"121-125"},"PeriodicalIF":0.0,"publicationDate":"2016-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83715703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural insight into binding mode of inhibitor with SAHH of Plasmodium and human: interaction of curcumin with anti-malarial drug targets","authors":"D. Singh, S. Dwivedi","doi":"10.1007/S12154-016-0155-7","DOIUrl":"https://doi.org/10.1007/S12154-016-0155-7","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"742 1","pages":"107-120"},"PeriodicalIF":0.0,"publicationDate":"2016-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74775671","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of thiazolidine-2,4-dione derivatives: anticancer, antimicrobial and DNA cleavage studies","authors":"S. V. Laxmi, P. Anil, G. Rajitha, A. Rao, P. Crooks, B. Rajitha","doi":"10.1007/S12154-016-0154-8","DOIUrl":"https://doi.org/10.1007/S12154-016-0154-8","url":null,"abstract":"","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"25 1","pages":"97-106"},"PeriodicalIF":0.0,"publicationDate":"2016-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77869575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}