Informatic search strategies to discover analogues and variants of natural product archetypes.

Abstract:

:Natural products are a crucial source of antimicrobial agents, but reliance on low-resolution bioactivity-guided approaches has led to diminishing interest in discovery programmes. Here, we demonstrate that two in-house automated informatic platforms can be used to target classes of biologically active natural products, specifically, peptaibols. We demonstrate that mass spectrometry-based informatic approaches can be used to detect natural products with high sensitivity, identifying desired agents present in complex microbial extracts. Using our specialised software packages, we could elaborate specific branches of chemical space, uncovering new variants of trichopolyn and demonstrating a way forward in mining natural products as a valuable source of potential pharmaceutical agents.

authors

Johnston CW,Connaty AD,Skinnider MA,Li Y,Grunwald A,Wyatt MA,Kerr RG,Magarvey NA

doi

10.1007/s10295-015-1675-9

subject

Has Abstract

pub_date

2016-03-01 00:00:00

pages

293-8

issue

2-3

eissn

1367-5435

issn

1476-5535

pii

10.1007/s10295-015-1675-9

journal_volume

43

pub_type

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