Networking for Natural Products

  • Author: Vikki Cantrill
  • Published: 19 September 2013
  • Copyright: Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
  • Source / Publisher: Journal of Natural Products/ACS Publications
thumbnail image: Networking for Natural Products

Screening mixtures of biologically active natural products (NP) for known compounds, and facilitating discovery of new compounds is very attractive. Screens, known as dereplication, used at an early stage help reduce the time, effort, and costs associated with identifying new compounds. Current methods analyze similarities in physical characteristics, but fail to provide exact compound structure information. However, by developing a robust database of MS/MS data from associated compounds, a data network can be formed, from cosine similarities, that allows known compounds and related analogues to be identified.


Pieter C. Dorrestein and colleagues from University of California, San Diego, USA, Chinese Academy of Sciences, China, and Universidade de Sao Paulo, Brazil, realized that MS/MS data gives a detailed fingerprint of a compound that allows this method to be precise. To test this technique, a number of marine and terrestrial microbial samples were tested and 58 molecules, including analogues, were correctly identified.

This method could be readily incorporated into NP discovery programs as well as databases compiled simply from MS/MS data of well-studied compounds and known standards.


  • Molecular Networking as a Dereplication Strategy,
    Jane Y. Yang, Laura M. Sanchez, Christopher M. Rath, Xueting Liu, Paul D. Boudreau, Nicole Bruns, Evgenia Glukhov, Anne Wodtke, Rafael de Felicio, Amanda Fenner, Weng Ruh Wong, Roger G. Linington, Lixin Zhang, Hosana M. Debonsi, William H. Gerwick, Pieter C. Dorrestein,
    J. Nat. Prod. 2013.
    DOI: 10.1021/np400413s

Article Views: 2517

Sign in Area

Please sign in below

Additional Sign In options

Please note that to comment on an article you must be registered and logged in.
Registration is for free, you may already be registered to receive, e.g., the newsletter. When you register on this website, please ensure you view our terms and conditions. All comments are subject to moderation.

Article Comments - To add a comment please sign in

Bookmark and Share

If you would like to reuse any content, in print or online, from ChemistryViews.org, please contact us first for permission. more


CONNECT:

ChemistryViews.org on Facebook

ChemistryViews.org on Twitter ChemistryViews.org on YouTube ChemistryViews.org on LinkedIn Sign up for our free newsletter


A product of ChemPubSoc Europe (16 European Chemical Societies)and Wiley-VCH