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

被引：80

作者：

McAlpine, James B. ^{[1
]}

Chen, Shao-Nong ^{[1
]}

Kutateladze, Andrei ^{[2
]}

MacMillan, John B. ^{[3
]}

Appendino, Giovanni ^{[4
]}

Barison, Andersson ^{[5
]}

Beniddir, Mehdi A. ^{[6
]}

Biavatti, Maique W. ^{[7
]}

Bluml, Stefan ^{[8
]}

Boufridi, Asmaa ^{[9
]}

Butler, Mark S. ^{[10
]}

Capon, Robert J. ^{[10
]}

Choi, Young H. ^{[11
]}

Coppage, David ^{[3
]}

Crews, Phillip ^{[3
]}

Crimmins, Michael T. ^{[12
]}

Csete, Marie ^{[13
]}

Dewapriya, Pradeep ^{[10
]}

Egan, Joseph M. ^{[14
]}

Garson, Mary J. ^{[15
]}

Genta-Jouve, Gregory ^{[16
]}

Gerwick, William H. ^{[17
,18
]}

Gross, Harald ^{[19
]}

Harper, Mary Kay ^{[20
]}

Hermanto, Precilia ^{[21
]}

Hook, James M. ^{[21
]}

Hunter, Luke ^{[21
]}

Jeannerat, Damien ^{[22
]}

Ji, Nai-Yun ^{[23
]}

Johnson, Tyler A. ^{[3
]}

Kingston, David G. I. ^{[24
]}

Koshino, Hiroyuki ^{[25
]}

Lee, Hsiau-Wei ^{[3
]}

Lewin, Guy ^{[6
]}

Li, Jie ^{[18
]}

Linington, Roger G. ^{[14
]}

Liu, Miaomiao ^{[9
]}

McPhail, Kerry L. ^{[26
]}

Molinski, Tadeusz F. ^{[27
,28
]}

Moore, Bradley S. ^{[17
,18
]}

Nam, Joo-Won ^{[1
,2
]}

Neupane, Ram P. ^{[30
]}

Niemitz, Matthias ^{[29
,31
]}

Nuzillard, Jean-Marc ^{[32
]}

Oberlies, Nicholas H. ^{[33
]}

Ocampos, Fernanda M. M. ^{[5
]}

Pan, Guohui ^{[34
,35
]}

Quinn, Ronald J. ^{[9
]}

Reddy, D. Sai ^{[2
]}

Renault, Jean-Hugues ^{[32
]}

机构：

[1] Univ Illinois, Program Collaborat Res Pharmaceut Sci PCRPS, Ctr Nat Product Technol CENAPT, Dept Med Chem & Pharmacognosy,Coll Pharm, 833 S Wood St, Chicago, IL 60612 USA

[2] Univ Denver, Dept Chem & Biochem, Denver, CO 80210 USA

[3] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA

[4] Univ Piemonte Orientale, Dipartimento Sci Chim Alimentari Farmaceut & Farm, Via Bovio 6, I-28100 Novara, Italy

[5] Univ Fed Parana, NMR Ctr, Curitiba, Parana, Brazil

[6] Univ Paris Saclay, Univ Paris Sud, CNRS, Equipe Pharmacognosie Chim Subst Nat BioCIS, 5 Rue JB Clement, F-92290 Chatenay Malabry, France

[7] Univ Fed Santa Catarina, Dept Pharmaceut Sci, Florianopolis, SC, Brazil

[8] Univ Southern Calif, Keck Sch Med, Los Angeles, CA 90033 USA

[9] Griffith Univ, Griffith Inst Drug Discovery, Brisbane, Qld 4111, Australia

[10] Univ Queensland, Inst Mol Biosci, St Lucia, Qld 4072, Australia

[11] Leiden Univ, Inst Biol, Sect Metabol, Div Pharmacognosy, POB 9502, NL-2300 RA Leiden, Netherlands

[12] Univ N Carolina, Kenan & Caudill Labs Chem, Chapel Hill, NC 27599 USA

[13] Univ Southern Calif, Huntington Med Res Inst, 99 N El Molino Ave, Pasadena, CA 91101 USA

[14] Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada

[15] Univ Queensland, Sch Chem & Mol Sci, St Lucia, Qld 4072, Australia

[16] Paris Descartes Univ, CNRS, Fac Pharmacie Paris, Sorbonne,Paris Cite,C TAC,UMR 8638, 4 Ave Observ, F-75006 Paris, France

[17] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA 92093 USA

[18] Scripps Inst Oceanog, Ctr Marine Biotechnol & Biomed, La Jolla, CA 92093 USA

[19] Eberhard Karls Univ Tubingen, Dept Pharmaceut Biol, Pharmaceut Inst, Morgenstelle 8, D-72076 Tubingen, Germany

[20] Univ Utah, Dept Med Chem, Salt Lake City, UT 84112 USA

[21] Univ New South Wales, Mark Wainwright Analyt Ctr, NMR Facil, Sydney, NSW 2052, Australia

[22] Univ Geneva, Dept Organ Chem, 30 Quai E Ansermet, CH-1211 Geneva 4, Switzerland

[23] Chinese Acad Sci, Yantai Inst Coastal Zone Res, Chunhui Rd 17, Yantai 264003, Peoples R China

[24] Virginia Polytech Inst & State Univ, Dept Chem, M-C 0212, Blacksburg, VA 24061 USA

[25] RIKEN, Ctr Sustainable Resource Sci, Wako, Saitama 3510198, Japan

[26] Oregon State Univ, Coll Pharm, Dept Pharmaceut Sci, Corvallis, OR 97331 USA

[27] Univ Calif San Diego, Dept Chem & Biochem, 9500 Gilman Dr,MC-0358, La Jolla, CA 92093 USA

[28] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, 9500 Gilman Dr,MC-0358, La Jolla, CA 92093 USA

[29] Yeungnam Univ, Coll Pharm, 280 Daehak Ro, Gyongsan 38541, Gyeongbuk, South Korea

[30] Univ Hawaii Manoa, Dept Chem, 2545 McCarthy Mall, Honolulu, HI 96822 USA

[31] NMR Solut Ltd, Puijonkatu 24B5, Kuopio 70110, Finland

[32] Univ Reims, CNRS, IFR 53, FRE 2715, Bat 18,Moulin Housse,BP 1039, F-51687 Reims 2, France

[33] Univ N Carolina, Dept Chem & Biochem, Greensboro, NC 27402 USA

[34] Scripps Res Inst, Dept Mol Med, Dept Chem, Jupiter, FL 33458 USA

[35] Scripps Res Inst, Nat Prod Lib Initiat, Jupiter, FL 33458 USA

[36] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico

[37] Univ Vienna, Dept Organ Chem, Wahringerstr 38, A-1090 Vienna, Austria

[38] Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA

[39] Univ Munster, IPBP, Pharma Campus,Corrensstr 48, D-48149 Munster, Germany

[40] Univ Innsbruck, Inst Pharm, Pharmacognosy, CMBI, Innrain 80-82, A-6020 Innsbruck, Austria

[41] Friedrich Schiller Univ, Inst Inorgan & Analyt Chem, D-07743 Jena, Germany

[42] Univ Napoli Federico II, Dipartimento Farm, Via Montesano 49, I-80131 Naples, Italy

[43] Chinese Acad Sci, Qingdao Natl Lab Marine Sci & Technol, Lab Marine Biol & Biotechnol, Key Lab Expt Marine Biol,Inst Oceanol, Nanhai Rd 7, Qingdao 266071, Peoples R China

[44] Univ Valle, Dept Quim, AA-25360 Cali, Colombia

[45] Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, 555 Zu Chong Zhi Rd,Zhangjiang Hitech Pk, Shanghai 201203, Peoples R China

[46] Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA

来源：

NATURAL PRODUCT REPORTS | 2019年 / 36卷 / 01期

关键词：

NUCLEAR-MAGNETIC-RESONANCE; MACROCYCLIC LACTONE ANTIBIOTICS; MONOTERPENOID INDOLE ALKALOIDS; UNPRECEDENTED CARBON SKELETON; PROTON COUPLING-CONSTANTS; A-TYPE PROANTHOCYANIDINS; SULFUR-CONTAINING AMIDES; STRUCTURE ELUCIDATION; MARINE SPONGE; PROPOSED STRUCTURE;

D O I：

10.1039/c7np00064b

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：35 / 107

页数：73

共 39 条

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