| Full text | |
| Author(s): Show less - |
Yang, Jane Y.
[1]
;
Sanchez, Laura M.
[2]
;
Rath, Christopher M.
[2]
;
Liu, Xueting
[3]
;
Boudreau, Paul D.
[4]
;
Bruns, Nicole
[4]
;
Glukhov, Evgenia
[4]
;
Wodtke, Anne
[4]
;
de Felicio, Rafael
[4, 5]
;
Fenner, Amanda
[4]
;
Wong, Weng Ruh
[6]
;
Linington, Roger G.
[6]
;
Zhang, Lixin
[3]
;
Debonsi, Hosana M.
[5]
;
Gerwick, William H.
[4]
;
Dorrestein, Pieter C.
[2, 1]
Total Authors: 16
|
| Affiliation: | [1] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 - USA
[2] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA 92093 - USA
[3] Chinese Acad Sci, Inst Microbiol, Key Lab Pathogen Microbiol & Immuno, Beijing 100190 - Peoples R China
[4] Univ Calif San Diego, Scripps Inst Oceanog, Ctr Marine Biotechnol & Biomed, La Jolla, CA 92093 - USA
[5] Univ Sao Paulo, Fac Ciencias Farmaceut Ribeirao Preto, Dept Fis & Quim, Nucleo Pesquisaem Prod Nat & Sintet, BR-14040903 Sao Paulo - Brazil
[6] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 - USA
Total Affiliations: 6
|
| Document type: | Journal article |
| Source: | Journal of Natural Products; v. 76, n. 9, p. 1686-1699, SEP 2013. |
| Web of Science Citations: | 190 |
| Abstract | |
A major goal in natural product discovery programs is to rapidly dereplicate known entities from complex biological extracts. We demonstrate here that molecular networking, an approach that organizes MS/MS data based on chemical similarity, is a powerful complement to traditional dereplication strategies. Successful dereplication with molecular networks requires MS/MS spectra of the natural product mixture along with MS/MS spectra of known standards, synthetic compounds, or well-characterized organisms, preferably organized into robust databases. This approach can accommodate different ionization platforms, enabling cross correlations of MS/MS data from ambient ionization, direct infusion, and LC-based methods. Molecular networking not only dereplicates known molecules from complex mixtures, it also captures related analogues, a challenge for many other dereplication strategies. To illustrate its utility as a dereplication tool, we apply mass spectrometry-based molecular networking to a diverse array of marine and terrestrial microbial samples, illustrating the dereplication of 58 molecules including analogues. (AU) | |
| FAPESP's process: | 12/00246-7 - Chemical epigenetic modulation of marine cyanobacteria |
| Grantee: | Rafael de Felício |
| Support Opportunities: | Scholarships abroad - Research Internship - Doctorate |