TQMD is a tool for high-performance computing clusters which downloads, stores and produces lists of dereplicated prokaryotic genomes. It has been developed to counter the ever-growing number of prokaryotic genomes and their uneven taxonomic distribution. It is based on word-based alignment-free methods (-mers), an iterative single-linkage approach and a divide-and-conquer strategy to remain both efficient and scalable. We studied the performance of TQMD by verifying the influence of its parameters and heuristics on the clustering outcome. We further compared TQMD to two other dereplication tools (dRep and Assembly-Dereplicator). Our results showed that TQMD is primarily optimized to dereplicate at higher taxonomic levels (phylum/class), as opposed to the other dereplication tools, but also works at lower taxonomic levels (species/strain) like the other dereplication tools. TQMD is available from source and as a Singularity container at [https://bitbucket.org/phylogeno/tqmd ].
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http://dx.doi.org/10.7717/peerj.11348 | DOI Listing |
Mar Drugs
November 2024
Laboratory of Pharmacognosy & Natural Products Chemistry, Department of Pharmacy, National and Kapodistrian University of Athens, 15771 Athens, Greece.
Chem Commun (Camb)
January 2025
Normandie Univ, CNRS, INSA Rouen, UNIROUEN, COBRA (UMR 6014 & FR 3038), 76000 Rouen, France.
Reactivity-based screening (RBS) was used to screen fungal crude extracts for the presence of new azaphilic natural products. A probe composed of a nucleophilic primary amine and an isotopic mass tag was designed for its reactivity towards azaphilic compounds. Addition of the probe to crude extracts of fungal complexes, together with analytical tools for dereplication such as haloseeker and molecular networking, allowed easy detection of azaphilic compounds.
View Article and Find Full Text PDFNucleic Acids Res
January 2025
Institute of Pharmaceutical Sciences, Albert-Ludwigs-Universität Freiburg, Hermann-Herder-Str. 9, D-79104 Freiburg, Germany.
Streptomycetes remain an important bacterial source of natural products (NPs) with significant therapeutic promise, particularly in the fight against antimicrobial resistance. Herein, we present StreptomeDB 4.0, a substantial update of the database that includes expanded content and several new features.
View Article and Find Full Text PDFTalanta
January 2025
The MOE Key Laboratory of Standardization of Chinese Medicines, Shanghai Key Laboratory of Compound Chinese Medicines, and SATCM Key Laboratory of New Resources and Quality Evaluation of Chinese Medicines, Institute of Chinese Materia Medica, Shanghai University of Traditional Chinese Medicine, Shanghai, 201203, China. Electronic address:
Efficient annotation and dereplication of metabolites, particularly those from resource-endangered plants lacking reference standards, is crucial for natural products development. Advanced techniques like high resolution mass spectrometry (LC-HRMS) have significantly enhanced metabolite characterization. However, challenges such as redundant spectral data, limited reference databases, and inferior dereplication capacity hinder its broad applicability.
View Article and Find Full Text PDFmSystems
October 2024
DOE Joint Genome Institute, Lawrence Berkeley National Laboratory, Berkeley, California, USA.
While numerous computational frameworks and workflows are available for recovering prokaryote and eukaryote genomes from metagenome data, only a limited number of pipelines are designed specifically for viromics analysis. With many viromics tools developed in the last few years alone, it can be challenging for scientists with limited bioinformatics experience to easily recover, evaluate quality, annotate genes, dereplicate, assign taxonomy, and calculate relative abundance and coverage of viral genomes using state-of-the-art methods and standards. Here, we describe Modular Viromics Pipeline (MVP) v.
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