{"title":"Chemistry of the Secondary Metabolites of Termites.","authors":"E. Gössinger","doi":"10.1007/978-3-030-12858-6_1","DOIUrl":"https://doi.org/10.1007/978-3-030-12858-6_1","url":null,"abstract":"","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77241615","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":"Cheminformatic Analysis of Natural Product Fragments.","authors":"D. Reker","doi":"10.1007/978-3-030-14632-0_5","DOIUrl":"https://doi.org/10.1007/978-3-030-14632-0_5","url":null,"abstract":"","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76365249","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":"Resources for Chemical, Biological, and Structural Data on Natural Products.","authors":"Ya Chen, Christina de Bruyn Kops, J. Kirchmair","doi":"10.1007/978-3-030-14632-0_2","DOIUrl":"https://doi.org/10.1007/978-3-030-14632-0_2","url":null,"abstract":"","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86410796","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":"The Pharmacophore Concept and Its Applications in Computer-Aided Drug Design.","authors":"T. Seidel, D. Schuetz, A. Garon, T. Langer","doi":"10.1007/978-3-030-14632-0_4","DOIUrl":"https://doi.org/10.1007/978-3-030-14632-0_4","url":null,"abstract":"","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73425354","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":"A Strength-Weaknesses-Opportunities-Threats (SWOT) Analysis of Cheminformatics in Natural Product Research.","authors":"B. Kirchweger, J. Rollinger","doi":"10.1007/978-3-030-14632-0_7","DOIUrl":"https://doi.org/10.1007/978-3-030-14632-0_7","url":null,"abstract":"","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75250622","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}
Rachel Mata, Mario Figueroa, Andrés Navarrete, Isabel Rivero-Cruz
{"title":"Chemistry and Biology of Selected Mexican Medicinal Plants.","authors":"Rachel Mata, Mario Figueroa, Andrés Navarrete, Isabel Rivero-Cruz","doi":"10.1007/978-3-030-01099-7_1","DOIUrl":"https://doi.org/10.1007/978-3-030-01099-7_1","url":null,"abstract":"<p><p>Herbal medicines are an integral element of alternative medical care in Mexico, and the best testimony to their efficacy and cultural value is their persistence in contemporary Mexican marketplaces where the highest percentages of medicinal and aromatic plants are sold. This chapter summarizes current trends in research on medicinal plants in Mexico, with emphasis on work carried out at the authors' laboratories. The most relevant phytochemical and pharmacological profiles of a selected group of plants used widely for treating major national health problems are described.From this contribution, it is evident that in the last five decades a significant amount of research on medicinal plants has been performed by Mexican scientists. Such efforts have led to the publication of many research papers in noted peer-reviewed journals and technical books. The isolation and structural characterization of hundreds of bioactive secondary metabolites have been accomplished, and most importantly, these studies have tended to support the ethnomedical uses of many different species. A multidisciplinary approach for investigating these plants has led to an increased emphasis on areas such as phytopharmacology, phytotoxicology, quality control, regulation, and conservation issues for these valuable resources. The medicinal plants analyzed so far have shown a very broad chemical diversity of their constituents, which have a high potential for exhibiting novel mechanistic effects biologically. The chapter shows also that there is need to conduct additional clinical studies on herbal drugs, in particular because the longstanding traditional evidence for their safety is not always sufficient to assure their rational use. There is also need to move to \"omics\" approaches for investigating the holistic effect and the influence of groups of phytochemicals on the whole organism. Mexican scientists may be expected to have bright prospects in this regard, which will imbue medicinal plant research with a new dynamism in the future.</p>","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/978-3-030-01099-7_1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"37276067","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}
Fabian Mayr, Christian Vieider, Veronika Temml, Hermann Stuppner, Daniela Schuster
{"title":"Open-Access Activity Prediction Tools for Natural Products. Case Study: hERG Blockers.","authors":"Fabian Mayr, Christian Vieider, Veronika Temml, Hermann Stuppner, Daniela Schuster","doi":"10.1007/978-3-030-14632-0_6","DOIUrl":"10.1007/978-3-030-14632-0_6","url":null,"abstract":"<p><p>Interference with the hERG potassium ion channel may cause cardiac arrhythmia and can even lead to death. Over the last few decades, several drugs, already on the market, and many more investigational drugs in various development stages, have had to be discontinued because of their hERG-associated toxicity. To recognize potential hERG activity in the early stages of drug development, a wide array of computational tools, based on different principles, such as 3D QSAR, 2D and 3D similarity, and machine learning, have been developed and are reviewed in this chapter. The various available prediction tools Similarity Ensemble Approach, SuperPred, SwissTargetPrediction, HitPick, admetSAR, PASSonline, Pred-hERG, and VirtualToxLab™ were used to screen a dataset of known hERG synthetic and natural product actives and inactives to quantify and compare their predictive power. This contribution will allow the reader to evaluate the suitability of these computational methods for their own related projects. There is an unmet need for natural product-specific prediction tools in this field.</p>","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83299277","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":"Biomolecular Targets of Oxyprenylated Phenylpropanoids and Polyketides.","authors":"Serena Fiorito, Francesco Epifano, Francesca Preziuso, Vito Alessandro Taddeo, Salvatore Genovese","doi":"10.1007/978-3-030-01099-7_2","DOIUrl":"https://doi.org/10.1007/978-3-030-01099-7_2","url":null,"abstract":"<p><p>Oxyprenylated secondary metabolites (e.g. phenylpropanoids and polyketides) represent a rare class of natural compounds. Over the past two decades, this group of phytochemicals has become a topic of intense research activity by several teams worldwide due to their in vitro and in vivo pharmacological activities, and to their great therapeutic and nutraceutical potential for the chemoprevention of acute and chronic diseases affecting humans. Such investigations have provided evidence that oxyprenylated secondary metabolites are able to interact with several biological targets at different levels accounting for their observed anticarcinogenic, anti-inflammatory, neuroprotective, immunomodulatory, antihypertensive, and metabolic effects. The aim of the present contribution is to provide a detailed survey of the so far reported data on the capacities of selected oxyprenylated phenylpropanoids and polyketides to trigger receptors, enzymes, and other types of cellular factors for which they exhibit a high degree of affinity and therefore evoke specific responses. With respect to the rather small amounts of these compounds available from natural sources, their chemical synthesis is also highlighted.</p>","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/978-3-030-01099-7_2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"37101991","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}
F. D. Prieto-Martínez, U. Norinder, J. Medina‐Franco
{"title":"Cheminformatics Explorations of Natural Products.","authors":"F. D. Prieto-Martínez, U. Norinder, J. Medina‐Franco","doi":"10.1007/978-3-030-14632-0_1","DOIUrl":"https://doi.org/10.1007/978-3-030-14632-0_1","url":null,"abstract":"","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72959370","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":"A Toolbox for the Identification of Modes of Action of Natural Products.","authors":"T. Rodrigues","doi":"10.1007/978-3-030-14632-0_3","DOIUrl":"https://doi.org/10.1007/978-3-030-14632-0_3","url":null,"abstract":"","PeriodicalId":20703,"journal":{"name":"Progress in the chemistry of organic natural products","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75738444","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}