The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research.

Authors

James B. McAlpine, Center for Natural Product Technologies, University of Illinois at Chicago
Shao-Nong Chen, Center for Natural Product Technologies, University of Illinois at Chicago
Andrei Kutateladze, Department of Chemistry and Biochemistry, University of Denver
John B. MacMillan, Department of Chemistry and Biochemistry, University of California, Santa Cruz
Giovanni Appendino, Dipartimento di Scienze Chimiche, Alimentari, Farmaceutiche e Farmacologiche, Universita` del Piemonte Orientale
Andersson Barison, NMR Center, Federal University of Paraná
Mehdi A. Beniddir, Équipe “Pharmacognosie-Chimie des Substances Naturelles” BioCIS, Univ. Paris-Sud, CNRS, Université Paris-Saclay
Maique W. Biavatti, Department of Pharmaceutical Sciences, Federal University of Santa Catarina
Stefan Bluml, Keck School of Medicine, University of Southern California
Asmaa Boufridi, Griffith Institute for Drug Discovery, Griffith University
Mark S. Butler, Institute for Molecular Bioscience, The University of Queensland
Robert J. Capon, Institute for Molecular Bioscience, The University of Queensland
Young H. Choi, Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University
David Coppage, Department of Chemistry and Biochemistry, University of California, Santa Cruz
Phillip Crews, University of California, Santa CruzFollow
Michael T. Crimmins, Kenan and Caudill Laboratories of Chemistry, University of North Carolina at Chapel Hill
Marie Csete, Huntington Medical Research Institutes, University of Southern California
Pradeep Dewapriya, Institute for Molecular Bioscience, The University of Queensland
Joseph M. Egan, Department of Chemistry, Simon Fraser University
Mary J. Garson, School of Chemistry and Molecular Sciences, University of Queensland
Grégory Genta-Jouve, C-TAC, UMR 8638 CNRS, Faculté de Pharmacie de Paris, Paris-Descartes University
William H Gerwick, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California
Harald Gross, Pharmaceutical Institute, Department of Pharmaceutical Biology, Eberhard Karls University of Tübingen
Mary Kay Harper, Department of Medicinal Chemistry, University of Utah
Precilia Hermanto, NMR Facility, Mark Wainwright Analytical Centre, University of New South Wales
James M. Hook, NMR Facility, Mark Wainwright Analytical Centre, University of New South Wales
Luke Hunter, NMR Facility, Mark Wainwright Analytical Centre, University of New South Wales
Damien Jeannerat, Department of Organic Chemistry, University of Geneva
Nai-Yun Ji, Yantai Institute of Coastal Zone Research, Chinese Academy of Sciences
Tyler A. Johnson, Department of Chemistry and Biochemistry, University of California, Santa CruzFollow
David G. I. Kingston, Department of Chemistry, M/C 0212, Virginia Polytechnic Institute and State University
Hiroyuki Koshino, Department of Chemistry, M/C 0212, Virginia Polytechnic Institute and State University
Hsiau-Wei Lee, Department of Chemistry and Biochemistry, University of California, Santa Cruz
Guy Lewin, Équipe “Pharmacognosie-Chimie des Substances Naturelles” BioCIS, Univ. Paris-Sud, CNRS, Université Paris-Saclay
Jie Li, Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography
Roger G Linington, Department of Chemistry, Simon Fraser University
Miaomiao Liu, Griffith Institute for Drug Discovery, Griffith University
Kerry L McPhail, Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University
Tadeusz F Molinski, Department of Chemistry and Biochemistry and Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego
Bradley S Moore, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, La Jolla
Joo-Won Nam, College of Pharmacy, Yeungnam University
Ram P Neupane, Department of Chemistry, University of Hawaii at Manoa
Matthias Niemitz, NMR Solutions Limited
Jean-Marc Nuzillard, FRE CNRS 2715, IFR 53, Université de Reims Champagne-Ardenne
Nicholas H Oberlies, Department of Chemistry and Biochemistry, University of North Carolina at Greensboro
Fernanda M M Ocampos, NMR Center, Federal University of Paraná
Guohui Pan, Department of Chemistry, Department of Molecular Medicine, and Natural Products Library Initiative at the Scripps Research Institute
Ronald J Quinn, Kenan and Caudill Laboratories of Chemistry, University of North Carolina at Chapel Hill
D Sai Reddy, Department of Chemistry and Biochemistry, University of Denver
Jean-Hugues Renault, FRE CNRS 2715, IFR 53, Université de Reims Champagne-Ardenne
José Rivera-Chávez, Instituto de Química, Universidad Nacional Autónoma de México, Ciudad de México
Wolfgang Robien, Department of Organic Chemistry, University of Vienna
Carla M Saunders, Department of Chemistry, University of California, Davis
Thomas J Schmidt, Institute of Pharmaceutical Biology and Phytochemistry (IPBP), University of Münster
Christoph Seger, Institute of Pharmacy, Pharmacognosy, Member of CMBI, University of Innsbruck,
Ben Shen, Department of Chemistry, Department of Molecular Medicine, and Natural Products Library Initiative at the Scripps Research Institute
Christoph Steinbeck
Hermann Stuppner, Institute of Pharmacy, Pharmacognosy, Member of CMBI, University of Innsbruck,
Sonja Sturm, Institute of Pharmacy, Pharmacognosy, Member of CMBI, University of Innsbruck,
Orazio Taglialatela-Scafati, Dipartimento di Farmacia, Università; di Napoli Federico II
Dean J Tantillo, Department of Chemistry, University of California, Davis
Robert Verpoorte
Bin-Gui Wang, Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University
Craig M Williams, School of Chemistry and Molecular Sciences, University of Queensland
Philip G Williams, Department of Chemistry, University of Hawaii at Manoa
Julien Wist, Departamento de Química, Universidad del Valle
Jian-Min Yue, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Chen Zhang, Department of Nanoengineering, University of California, La Jolla
Zhengren Xu, Department of Chemistry, Department of Molecular Medicine, and Natural Products Library Initiative at the Scripps Research Institute
Charlotte Simmler, Center for Natural Product Technologies, University of Illinois at Chicago
David C Lankin, Center for Natural Product Technologies, University of Illinois at Chicago
Jonathan Bisson, Center for Natural Product Technologies, University of Illinois at Chicago
Guido F Pauli, Center for Natural Product Technologies, University of Illinois at Chicago

Department

Natural Sciences and Mathematics

Document Type

Article

Source

Natural Product Reports

Publication Date

1-1-2019

ISSN

1460-4752

Volume

36

Issue

1

First Page

35

Last Page

107

Abstract

With contributions from the global natural product (NP) research community, and continuing the Raw Data Initiative, this review collects a comprehensive demonstration of the immense scientific value of disseminating raw nuclear magnetic resonance (NMR) data, independently of, and in parallel with, classical publishing outlets. A comprehensive compilation of historic to present-day cases as well as contemporary and future applications show that addressing the urgent need for a repository of publicly accessible raw NMR data has the potential to transform natural products (NPs) and associated fields of chemical and biomedical research. The call for advancing open sharing mechanisms for raw data is intended to enhance the transparency of experimental protocols, augment the reproducibility of reported outcomes, including biological studies, become a regular component of responsible research, and thereby enrich the integrity of NP research and related fields.

PubMed ID

30003207

Creative Commons License

This work is licensed under a Creative Commons Attribution 3.0 License.