Dereplication of microbial metabolites through database search of mass spectra

Hosein Mohimani, Алексей Александрович Гуревич, Александр Юрьевич Шлемов, Алла Александровна Михеенко, Антон Иванович Коробейников, Liu Cao, Егор Щербин, Louis-Felix Nothias, P. C. Dorrestein, Павел Аркадьевич Певзнер

Результат исследований: Научные публикации в периодических изданияхстатья

15 Цитирования (Scopus)

Выдержка

Natural products have traditionally been rich sources for drug discovery. In order to clear the road toward the discovery of unknown natural products, biologists need dereplication strategies that identify known ones. Here we report DEREPLICATOR+, an algorithm that improves on the previous approaches for identifying peptidic natural products, and extends them for identification of polyketides, terpenes, benzenoids, alkaloids, flavonoids, and other classes of natural products. We show that DEREPLICATOR+ can search all spectra in the recently launched Global Natural Products Social molecular network and identify an order of magnitude more natural products than previous dereplication efforts. We further demonstrate that DEREPLICATOR+ enables cross-validation of genome-mining and peptidogenomics/glycogenomics results.

Язык оригиналаанглийский
Номер статьи4035
Число страниц12
ЖурналNature Communications
Том9
Номер выпуска1
DOI
СостояниеОпубликовано - 1 дек 2018

Отпечаток

metabolites
Metabolites
Biological Products
mass spectra
Databases
products
terpenes
Polyketides
alkaloids
genome
Terpenes
Drug Discovery
roads
Alkaloids
Flavonoids
Social Support
drugs
Genes
Genome

Предметные области Scopus

  • Физика и астрономия (все)
  • Химия (все)
  • Биохимия, генетика и молекулярная биология (все)

Цитировать

@article{3fe3b3efeb854b0fa890fa3ec8b15712,
title = "Dereplication of microbial metabolites through database search of mass spectra",
abstract = "Natural products have traditionally been rich sources for drug discovery. In order to clear the road toward the discovery of unknown natural products, biologists need dereplication strategies that identify known ones. Here we report DEREPLICATOR+, an algorithm that improves on the previous approaches for identifying peptidic natural products, and extends them for identification of polyketides, terpenes, benzenoids, alkaloids, flavonoids, and other classes of natural products. We show that DEREPLICATOR+ can search all spectra in the recently launched Global Natural Products Social molecular network and identify an order of magnitude more natural products than previous dereplication efforts. We further demonstrate that DEREPLICATOR+ enables cross-validation of genome-mining and peptidogenomics/glycogenomics results.",
keywords = "BIOSYNTHESIS, COLLISIONALLY ACTIVATED DISSOCIATION, DRUG DISCOVERY, GENE CLUSTERS, MOLECULAR NETWORKING, PEPTIDIC NATURAL-PRODUCTS, PROTEIN IDENTIFICATION, SPECTROMETRY DATA, STREPTOMYCES-ROSEOSPORUS, STRUCTURE ELUCIDATION",
author = "Hosein Mohimani and Гуревич, {Алексей Александрович} and Шлемов, {Александр Юрьевич} and Михеенко, {Алла Александровна} and Коробейников, {Антон Иванович} and Liu Cao and Егор Щербин and Louis-Felix Nothias and Dorrestein, {P. C.} and Певзнер, {Павел Аркадьевич}",
year = "2018",
month = "12",
day = "1",
doi = "10.1038/s41467-018-06082-8",
language = "English",
volume = "9",
journal = "Nature Communications",
issn = "2041-1723",
publisher = "Nature Publishing Group",
number = "1",

}

Dereplication of microbial metabolites through database search of mass spectra. / Mohimani, Hosein; Гуревич, Алексей Александрович; Шлемов, Александр Юрьевич; Михеенко, Алла Александровна; Коробейников, Антон Иванович; Cao, Liu; Щербин, Егор; Nothias, Louis-Felix; Dorrestein, P. C.; Певзнер, Павел Аркадьевич.

В: Nature Communications, Том 9, № 1, 4035, 01.12.2018.

Результат исследований: Научные публикации в периодических изданияхстатья

TY - JOUR

T1 - Dereplication of microbial metabolites through database search of mass spectra

AU - Mohimani, Hosein

AU - Гуревич, Алексей Александрович

AU - Шлемов, Александр Юрьевич

AU - Михеенко, Алла Александровна

AU - Коробейников, Антон Иванович

AU - Cao, Liu

AU - Щербин, Егор

AU - Nothias, Louis-Felix

AU - Dorrestein, P. C.

AU - Певзнер, Павел Аркадьевич

PY - 2018/12/1

Y1 - 2018/12/1

N2 - Natural products have traditionally been rich sources for drug discovery. In order to clear the road toward the discovery of unknown natural products, biologists need dereplication strategies that identify known ones. Here we report DEREPLICATOR+, an algorithm that improves on the previous approaches for identifying peptidic natural products, and extends them for identification of polyketides, terpenes, benzenoids, alkaloids, flavonoids, and other classes of natural products. We show that DEREPLICATOR+ can search all spectra in the recently launched Global Natural Products Social molecular network and identify an order of magnitude more natural products than previous dereplication efforts. We further demonstrate that DEREPLICATOR+ enables cross-validation of genome-mining and peptidogenomics/glycogenomics results.

AB - Natural products have traditionally been rich sources for drug discovery. In order to clear the road toward the discovery of unknown natural products, biologists need dereplication strategies that identify known ones. Here we report DEREPLICATOR+, an algorithm that improves on the previous approaches for identifying peptidic natural products, and extends them for identification of polyketides, terpenes, benzenoids, alkaloids, flavonoids, and other classes of natural products. We show that DEREPLICATOR+ can search all spectra in the recently launched Global Natural Products Social molecular network and identify an order of magnitude more natural products than previous dereplication efforts. We further demonstrate that DEREPLICATOR+ enables cross-validation of genome-mining and peptidogenomics/glycogenomics results.

KW - BIOSYNTHESIS

KW - COLLISIONALLY ACTIVATED DISSOCIATION

KW - DRUG DISCOVERY

KW - GENE CLUSTERS

KW - MOLECULAR NETWORKING

KW - PEPTIDIC NATURAL-PRODUCTS

KW - PROTEIN IDENTIFICATION

KW - SPECTROMETRY DATA

KW - STREPTOMYCES-ROSEOSPORUS

KW - STRUCTURE ELUCIDATION

UR - http://www.scopus.com/inward/record.url?scp=85054164646&partnerID=8YFLogxK

UR - http://www.mendeley.com/research/dereplication-microbial-metabolites-through-database-search-mass-spectra

U2 - 10.1038/s41467-018-06082-8

DO - 10.1038/s41467-018-06082-8

M3 - Article

C2 - 30279420

VL - 9

JO - Nature Communications

JF - Nature Communications

SN - 2041-1723

IS - 1

M1 - 4035

ER -