Research output: Contribution to journal › Article › peer-review
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.
In: Nature Communications, Vol. 9, No. 1, 4035, 01.12.2018.Research output: Contribution to journal › Article › peer-review
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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 -
ID: 35159749