hcapca: Automated Hierarchical Clustering and Principal Component Analysis of Large Metabolomic Datasets in R

S Chanana, CS Thomas, F Zhang, SR Rajski, TS Bugni - Metabolites, 2020 - mdpi.com
Microbial natural product discovery programs face two main challenges today: rapidly
prioritizing strains for discovering new molecules and avoiding the rediscovery of already …

Natural product discovery using planes of principal component analysis in R (PoPCAR)

S Chanana, CS Thomas, DR Braun, Y Hou, TP Wyche… - Metabolites, 2017 - mdpi.com
Rediscovery of known natural products hinders the discovery of new, unique scaffolds.
Efforts have mostly focused on streamlining the determination of what compounds are …

NPOmix: a machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters

TF Leão, M Wang, R da Silva, A Gurevich… - PNAS …, 2022 - academic.oup.com
Microbial specialized metabolites are an important source of and inspiration for many
pharmaceuticals, biotechnological products and play key roles in ecological processes …

Linking biosynthetic and chemical space to accelerate microbial secondary metabolite discovery

S Soldatou, GH Eldjarn, A Huerta-Uribe… - FEMS microbiology …, 2019 - academic.oup.com
Secondary metabolites can be viewed as a chemical language, facilitating communication
between microorganisms. From an ecological point of view, this metabolite exchange is in …

Microbial strain prioritization using metabolomics tools for the discovery of natural products

Y Hou, DR Braun, CR Michel, JL Klassen… - Analytical …, 2012 - ACS Publications
Natural products profoundly impact many research areas, including medicine, organic
chemistry, and cell biology. However, discovery of new natural products suffers from a lack …

A metabolomics guided exploration of marine natural product chemical space

DJ Floros, PR Jensen, PC Dorrestein, N Koyama - Metabolomics, 2016 - Springer
Introduction Natural products from culture collections have enormous impact in advancing
discovery programs for metabolites of biotechnological importance. These discovery efforts …

MetEx, a metabolomics explorer application for natural product discovery

BC Covington, MR Seyedsayamdost - ACS chemical biology, 2021 - ACS Publications
Advances in next-generation DNA sequencing technologies, bioinformatics, and mass
spectrometry-based metabolite detection have ushered in a new era of natural product …

An integrated metabolomic and genomic mining workflow to uncover the biosynthetic potential of bacteria

M Maansson, NG Vynne, A Klitgaard, JL Nybo… - Msystems, 2016 - Am Soc Microbiol
Microorganisms are a rich source of bioactives; however, chemical identification is a major
bottleneck. Strategies that can prioritize the most prolific microbial strains and novel …

Comprehensive large-scale integrative analysis of omics data to accelerate specialized metabolite discovery

JJR Louwen, JJJ Van Der Hooft - Msystems, 2021 - Am Soc Microbiol
Microbial specialized metabolites are key mediators in host-microbiome interactions. Most of
the chemical space produced by the microbiome currently remains unexplored and …

Computational genomics of specialized metabolism: from natural product discovery to microbiome ecology

MH Medema - Msystems, 2018 - Am Soc Microbiol
Microbial and plant specialized metabolites, also known as natural products, are key
mediators of microbe-microbe and host-microbe interactions and constitute a rich resource …