Dynamic Combinatorial Chemistry
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Phytochemistry and Pharmacogenomics of Natural Products Derived from Traditional Chinese Medicine and Chinese Materia Medica with Activity Against Tumor Cells
152 Phytochemistry and pharmacogenomics of natural products derived from traditional chinese medicine and chinese materia medica with activity against tumor cells Thomas Efferth,1 Stefan Kahl,2,3,6 Kerstin Paulus,4 Introduction 2 5 3 Michael Adams, Rolf Rauh, Herbert Boechzelt, Cancer is responsible for 12% of the world’s mortality and Xiaojiang Hao,6 Bernd Kaina,5 and Rudolf Bauer2 the second-leading cause of death in the Western world. 1 Limited chances for cure by chemotherapy are a major German Cancer Research Centre, Pharmaceutical Biology, contributing factor to this situation. Despite much progress Heidelberg, Germany; 2Institute of Pharmaceutical Sciences, University of Graz; 3Joanneum Research, Graz, Austria; 4Institute in recent years,a key problem in tumor therapy with of Pharmaceutical Biology, University of Du¨sseldorf, Du¨sseldorf, established cytostatic compounds is the development of Germany; 5Institute of Toxicology, University of Mainz, Mainz, 6 drug resistance and threatening side effects. Most estab- Germany; and State Key Laboratory of Phytochemistry and Plant lished drugs suffer from insufficient specificity toward Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, China tumor cells. Hence,the identification of improved anti- tumor drugs is urgently needed. Several approaches have been delineated to search for Abstract novel antitumor compounds. Combinatorial chemistry,a The cure from cancer is still not a reality for all patients, technology conceived about 20 years ago,was envisaged as which is mainly due to the limitations of chemotherapy a promising strategy to this demand. The expected surge in (e.g., drug resistance and toxicity). Apart from the high- productivity,however,has hardly materialized (1). -
Virtual Screening for the Discovery of Bioactive Natural Products by Judith M
Progress in Drug Research, Vol. 65 (Frank Petersen and René Amstutz, Eds.) © 2008 Birkhäuser Ver lag, Basel (Swit zer land) Virtual screening for the discovery of bioactive natural products By Judith M. Rollinger1, Hermann Stuppner1,2 and Thierry Langer2,3 1Institute of Pharmacy/Pharmacog- nosy, Leopold-Franzens University of Innsbruck, Innrain 52c, 6020 Innsbruck, Austria 2Inte:Ligand GmbH, Software Engineering and Consulting, Clemens Maria Hofbauergasse 6, 2344 Maria Enzersdorf, Austria 3Institute of Pharmacy/Pharmaceu- tical Chemistry/Computer Aided Molecular Design Group, Leopold- Franzens University of Innsbruck, Innrain 52c, 6020 Innsbruck, Austria <[email protected]> Virtual screening for the discovery of bioactive natural products Abstract In this survey the impact of the virtual screening concept is discussed in the field of drug discovery from nature. Confronted by a steadily increasing number of secondary metabolites and a growing number of molecular targets relevant in the therapy of human disorders, the huge amount of information needs to be handled. Virtual screening filtering experiments already showed great promise for dealing with large libraries of potential bioactive molecules. It can be utilized for browsing databases for molecules fitting either an established pharma- cophore model or a three dimensional (3D) structure of a macromolecular target. However, for the discovery of natural lead candidates the application of this in silico tool has so far almost been neglected. There are several reasons for that. One concerns the scarce availability of natural product (NP) 3D databases in contrast to synthetic libraries; another reason is the problematic compatibility of NPs with modern robotized high throughput screening (HTS) technologies. -
Towards Life Originating De-Novo
Diplomarbeit Towards Life originating de-novo: Strategies how Compartmentalization could be induced by a synthetic Self-Replicator Ausgefuhrt¨ zum Zwecke der Erlangung des akademischen Grades der Diplom-Ingeneurin (Dipl.-Ing.) im Rahmen des Studiums Technische Chemie unter der Leitung von Univ.Prof. Dipl.-Ing. Dr. (tech) Johannes Frohlich¨ Institut fur¨ Angewandte Synthesechemie Technische Universitat¨ Wien und Prof. Dr. Sijbren Otto Stratingh Institut fur¨ Systemchemie Universitat¨ Groningen Eingereicht an der Technischen Universitat¨ Wien Institut fur¨ Angewandte Synthesechemie Die approbierte gedruckte Originalversion dieser Diplomarbeit ist an der TU Wien Bibliothek verfügbar. The approved original version of this thesis is available in print at TU Wien Bibliothek. von Anna-Patricia Wolf, BSc. 1302118 Wien, am 23. April 2020 Unterschrift Verfasserin Die approbierte gedruckte Originalversion dieser Diplomarbeit ist an der TU Wien Bibliothek verfügbar. The approved original version of this thesis is available in print at TU Wien Bibliothek. Die approbierte gedruckte Originalversion dieser Diplomarbeit ist an der TU Wien Bibliothek verfügbar. The approved original version of this thesis is available in print at TU Wien Bibliothek. "Der Mensch braucht ein Ziel!" - Heinz Tauscher Die approbierte gedruckte Originalversion dieser Diplomarbeit ist an der TU Wien Bibliothek verfügbar. The approved original version of this thesis is available in print at TU Wien Bibliothek. DECLARATIONONOATH statutory declaration I declare that I have written this thesis independently, that I have not used other than the declared sources or resources, and that I have explicitly marked all material, which has been quoted either literally or by content from the used sources. eidesstattliche erklärung Ich erkläre an Eides statt, dass ich die vorliegende Arbeit selbstständig verfasst, andere als die angegebenen Quellen oder Hilfsmittel nicht benutzt und die den benutzten Quellen wörtlich und inhaltlich entnommenen Stellen als solche kenntlich gemacht habe. -
Olefin Metathesis in Peptidomimetics, Dynamic Combinatorial Chemistry, and Molecular Imprinting
OLEFIN METATHESIS IN PEPTIDOMIMETICS, DYNAMIC COMBINATORIAL CHEMISTRY, AND MOLECULAR IMPRINTING By TAMMY KARRIE CHENG LOW A DISSERTATION PRESENTED TO THE GRADUATE SCHOOL OF THE UNIVERSITY OF FLORIDA IN PARTIAL FULFILLMENT OF THE REQUIREMENTS FOR THE DEGREE OF DOCTOR OF PHILOSOPHY UNIVERSITY OF FLORIDA 2006 The views expressed in this dissertation are those of the author and do not reflect the official policy or position of the United States Air Force, Department of Defense, or the U.S. Government. This dissertation is dedicated to my parents for their unconditional love and support. ACKNOWLEDGEMENTS My sincere gratitude goes out to the many individuals who have supported me throughout the years. I first like to thank the Air Force Academy for giving me the opportunity to pursue my Ph.D. I look forward to returning and working in a wonderful teaching environment. Special thanks go to Lt Col Ron Furstenau, a mentor and role model, who taught me a lot about being a good instructor and inspired me to teach. I would like to extend my sincere appreciation to my research advisor, Dr. Eric Enholm, for his support, patience, understanding, and invaluable help. He provided me all the necessary guidance to complete my dissertation, and allowed me the research freedom to develop my own ideas. Most importantly, he is a caring person who was always concerned for my family, especially during the monstrous hurricane season of 2004 in Florida. He has been a great advisor and I will never forget his encouragement and kindness. I would like to thank my committee members for their constructive feedback and advice. -
Combinatorial and High-Throughput Screening of Materials Libraries: Review of State of the Art Radislav Potyrailo*
REVIEW pubs.acs.org/acscombsci Combinatorial and High-Throughput Screening of Materials Libraries: Review of State of the Art Radislav Potyrailo* Chemistry and Chemical Engineering, GE Global Research Center, Niskayuna, New York 12309, United States Krishna Rajan Department of Materials Science and Engineering and Institute for Combinatorial Discovery, Iowa State University, Ames, Iowa 50011, United States Klaus Stoewe Universit€at des Saarlandes, Technische Chemie, Campus C4.2, 66123, Saarbruecken, Germany Ichiro Takeuchi Department of Materials Science and Engineering, University of Maryland, College Park, Maryland 20742, United States Bret Chisholm Center for Nanoscale Science and Engineering and Department of Coatings and Polymeric Materials, North Dakota State University, Fargo, North Dakota 58102, United States Hubert Lam Chemistry and Chemical Engineering, GE Global Research Center, Niskayuna, New York 12309, United States ABSTRACT: Rational materials design based on prior knowledge is attractive because it promises to avoid time-consuming synthesis and testing of numerous materials candidates. However with the increase of complexity of materials, the scientific ability for the rational materials design becomes progressively limited. As a result of this complexity, combinatorial and high-throughput (CHT) experimentation in materials science has been recognized as a new scientific approach to generate new knowledge. This review demonstrates the broad applicability of CHT experimentation technologies in discovery and optimiza- tion of new materials. We discuss general principles of CHT materials screening, followed by the detailed discussion of high-throughput materials characteriza- tion approaches, advances in data analysis/mining, and new materials develop- ments facilitated by CHT experimentation. We critically analyze results of materials development in the areas most impacted by the CHT approaches, such as catalysis, electronic and functional materials, polymer-based industrial coatings, sensing materials, and biomaterials. -
Sijbren Otto Is Awarded a TA-NEWPOL Grant Highlights By
116 March 2016 Sijbren Otto is awarded a TA-NEWPOL grant Sijbren Otto is awarded a 250.000 TA-NEWPOL grant. These grants aim at developing new polymer materials which meet the social and industrial need for sustainability and multifunctionali- ty. Self -synthesizing gels This research aims to develop new gels that form from simple building blocks. The build-up process can be controlled so that the gels have the desired structure and properties. The investiga- tors wish to apply the resulting materials as media for the growth of cells in three dimensions. Highlights by Prof. dr. Jan B.F.N.Engberts Three organic chemists from the Technical University of Munich wrote an interesting re- view about self-assembled supramolecular structures that can be used as catalysts for re- actions that occur via cationic transition states. Such catalysts are highly necessary since otherwise the cationic transition states may be attacked by counterions and/or solvent molecules. The supramolecular structures contain aromatic, hydrophobic reaction pockets and make it possible to perform cationic reactions outside the scope of standard solution chemistry. A number of such processes have been discussed in some detail. However, se- veral problems have still to be solved and a variety of new host structures have to be desig- ned and prepared. Such structures should be easily obtainable, tailored towards a particu- lar transformation and highly modifiable. Catti, L., Zhang, Q., Tiefenbacher, K., Synthesis 2016, 48, 313. SN2 nucleophilic substitution processes are significantly dependent on nucleophile, sol- vent and the leaving group. Physical-organic chemists from Institutes in Austria and Hun- gary argue that the role of the leaving group on the reaction dynamics has remained rather unclear. -
Combinatorial Chemistry: a Guide for Librarians
City University of New York (CUNY) CUNY Academic Works Publications and Research City College of New York 2002 Combinatorial Chemistry: A Guide for Librarians Philip Barnett CUNY City College How does access to this work benefit ou?y Let us know! More information about this work at: https://academicworks.cuny.edu/cc_pubs/266 Discover additional works at: https://academicworks.cuny.edu This work is made publicly available by the City University of New York (CUNY). Contact: [email protected] Issues in Science and Technology Librarianship Winter 2002 DOI:10.5062/F4DZ0690 URLs in this document have been updated. Links enclosed in{curly brackets} have been changed. If a replacement link was located, the new URL was added and the link is active; if a new site could not be identified, the broken link was removed. Combinatorial Chemistry: A Guide for Librarians Philip Barnett Associate Professor and Science Reference Librarian Science/Engineering Library City College of New York (CUNY) [email protected] Abstract In the 1980s a need to synthesize many chemical compounds rapidly and inexpensively spawned a new branch of chemistry known as combinatorial chemistry. While the techniques of this rapidly growing field are used primarily to find new candidate drugs, combinatorial chemistry is also finding other applications in various fields such as semiconductors, catalysts, and polymers. This guide for librarians explains the basics of combinatorial chemistry and elucidates the key information sources needed by combinatorial chemists. Introduction Most librarians who serve chemists or chemistry students are familiar with the six main disciplines of chemistry. These are: Physical chemistry applies the fundamental laws of physics, such as thermodynamics, electricity, and quantum mechanics, to explain chemical behavior. -
Networks of Expertise and Evidence for Public Policy Annual Report 2015 the Centre for Science and Policy in 2015
Networks of Expertise and Evidence for Public Policy Annual Report 2015 The Centre for Science and Policy in 2015 The policy challenges facing our world today demand ever-greater foresight, ingenuity and a willingness to collaborate across sectors. As this report illustrates, “Over the seven years since its launch, the Centre for Science the Centre for Science and Policy has been helping its network to navigate and Policy has pioneered new ways of bringing academia and challenges from climate resilience to new forms of healthcare; from national government together to tackle policy challenges. CSaP has security to shaping innovation in the public interest. successfully promoted long-term thinking and more robust networks of expertise and evidence for public policy. The maturity of CSaP’s unique network of academics As he moves on to chair CSaP’s Advisory Council, I and policy makers is demonstrated by the breadth would like to express my gratitude to David for his Dr Robert Doubleday and depth of our work during 2015. Our network inspirational work in founding the Centre. Executive Director Centre for Science and Policy 2015 is the year in which the Centre came of age. Having now encompasses over 200 Fellows and more than served as its founding director from 2009 to 2015, I am 1100 researchers and, during the year, we welcomed In 2016, a year set to be every bit as challenging for delighted CSaP is playing a central role in supporting the more than 2500 participants to 43 events. governments as 2015 has been, CSaP’s role in brokering links between research and policy will be University’s mission, and that the Centre is in the excellent These achievements are testimony to the vision of more important than ever. -
Famelabnl Audience Award Goes to Groningen!
136 May 2018 FameLabNL audience award goes to Groningen! Photo courtesy of Joost Weddepohl Last week the national final of FameLab was held in Utrecht. FameLab is the big- gest science communication competition in the world. The idea behind FameLab is that young scientists (students, PhD’s, postdocs and starting professors) have to present a scientific topic to an audience of laymen in under 3 minutes without using powerpoint. This year the audience award was awarded to Marcel Eleveld, who gave a presen- tation about the Eigen paradox of the origin of life (“Machinery for accurate (molecular) self-replication needs a lot of information to be encoded - but how do you obtain such machinery before the associated information can be accurately co- pied?”). Marcel is a Nanoscience master student who is working in the group of Sijbren Otto. The jury award was awarded to Jair Santanna (assistant professor at the TU Twen- te) who spoke about DDoS attacks and how they can be prevented. Stratingh Institute for Chemistry Newsletter nr 136 - May 2018 1 Sijbren Otto wins prestigious Royal Society of Chemistry Award Professor of Systems Chemistry Sijbren Otto is the 2018 re- cipient of the Royal Society of Chemistry (UK) Supramole- cular Chemistry Award. This biennial award is in recogni- tion of Otto’s contribution to the science of molecular net- works and systems chemistry. The main theme of his cur- rent work is chemical evolution. As recipient of the award, Otto will give a number of lectures in Britain. ‘I feel very honoured to receive this award’, says Otto. -
Department of Chemistry University of Cambridge Biennial Report 2012 Edited and Designed by Sarah Houlton Photographs: Nathan Pitt and Caroline Hancox
Chemistry @ Cambridge Department of Chemistry University of Cambridge biennial report 2012 Edited and designed by Sarah Houlton Photographs: Nathan Pitt and Caroline Hancox Printed by Callimedia, Colchester Published by the Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW. Opinions are not necessarily those of the editor, the department, or the university Reluctant reactions Academic staff An introduction to Christopher Abell Ali Alavi Stuart Althorpe Cambridge Chemistry Shankar Balasubramanian Nick Bampos Paul Barker Ian Baxendale Daniel Beauregard Andreas Bender Robert Best Peter Bond Sally Boss Jason Chin Alessio Ciulli Jane Clarke Stuart Clarke Aron Cohen Graeme Day Christopher Dobson Melinda Duer Stephen Elliott Daan Frenkel Matthew Gaunt Robert Glen Jonathan Goodman Clare Grey Neil Harris Laura Itzhaki Sophie Jackson David Jefferson This Biennial Report is designed to give themes: chemistry of health, chemistry Stephen Jenkins a brief introduction to the Chemistry for sustainability, and chemistry for Bill Jones Department of the University of novel materials. Rod Jones Cambridge. Our department has a long On these topics, we engage in open history, yet our national and interna - collaboration with national and interna - Markus Kalberer tional position is not determined by our tional partners in academia, industry James Keeler past but by our current perfor - and government. David Klenerman mance. Just over 50 research groups We are fortunate to attract some of Tuomas Knowles form the core of the department. They the brightest and the best students – Finian Leeper deliver the research and the teaching both nationally and internationally. We that have given the department its posi - aim to provide them with the very best Steven Ley tion among the very best in the world. -
Unusual DNA and Medicinal Chemistry Memories of Cambridge in the 1950S Bioinorganic Studies and Teaching Duties a Chat With
Spring 2012 Unusual DNA and medicinal chemistry Bioinorganic studies and teaching duties Memories of Cambridge in the 1950s A chat with the department’s deputy heads As I see it... When Daan Frenkel became head of department in October, it was with the help of two deputy heads of department – Jane Clarke and David Wales. Sarah Houlton talks to them about their roles, and what they involve Why does the new department struc - ture have this ‘triumvirate’ headship? David: Quite simply, because there is so much work involved – I don’t know how Bill Jones could possibly have done this on his own! I’ve worked here for more than 20 years and I really had no idea what lay underneath the tip of the iceberg in terms of the amount of organisation and administration the department needs. The only way to do this and keep people sane is with a hierarchical structure, with layers of committees and delegated authority, which is what we now have. I think it’s working quite well – we’ve had a reorganisation in terms of administrative staff, which has saved money while being more efficient. So Daan is the out - ward face of the department, I look after sup - port and resources, and Jane is responsible for staffing issues. t t i P n It does sound like rather a large task a h t for one person! So, Jane, what are a N your responsibilities? : o t o Jane: I’m responsible for all sorts of personnel h issues in the department. More than 900 people P are employed within the department, including sidering setting up a mentoring team, with a when fume cupboards return to the pool. -
Macrae/LC/Mcdowall
1074 LCGC VOLUME 18 NUMBER 10 OCTOBER 2000 www.chromatographyonline.com Chromatography Data Systems in Drug Discovery The author discusses the roles of mass spectrometry and chromatography data systems within drug discovery analytical laboratories. He also presents ways of using laboratory information management systems to integrate the chemical data. n this article I’ll examine the use of • liquid chromatography–mass spectrome- chromatography data systems in drug try (LC–MS), which is used to determine discovery. Of particular interest is ana- compound identity based on the predic- I lyzing the results of the chemical soups tion from the anticipated compound to be produced by combinatorial chemistry labo- synthesized ratories. • nuclear magnetic resonance spectroscopy, The problem is that chromatographers which serves as a backup for compound working in combinatorial chemistry can be identification and is used mainly at the in a no-win situation: the combinatorial start of the library synthesis. chemistry increases throughput, and the I’ll concentrate on HPLC and MS analy- result is that the number of samples to be sis and on the data systems used to manage assayed also increases. How can this work the data produced. If analysts in small labo- flow be managed? What can chromatogra- ratories synthesize more than 100,000 com- phers do to reduce the waiting times? One pounds per year, they generally will need to idea, presented by Sage and co-workers (1), interpret one chromatogram and one spec- is to use parallel analysis with an eight- trum per compound. Still printing on paper? channel multiplexed electrospray interface That’s a lot of trees.