Evaluation of plant sources for antiinfective lead compound discovery by correlating phylogenetic, spatial, and bioactivity data.
biodiversity
chemical diversity
chemoinformatics
natural products
phylogenetics
Journal
Proceedings of the National Academy of Sciences of the United States of America
ISSN: 1091-6490
Titre abrégé: Proc Natl Acad Sci U S A
Pays: United States
ID NLM: 7505876
Informations de publication
Date de publication:
02 06 2020
02 06 2020
Historique:
pubmed:
13
5
2020
medline:
5
9
2020
entrez:
13
5
2020
Statut:
ppublish
Résumé
Antibiotic resistance and viral diseases are rising around the world and are becoming major threats to global health, food security, and development. One measure that has been suggested to mitigate this crisis is the development of new antibiotics. Here, we provide a comprehensive evaluation of the phylogenetic and biogeographic patterns of antiinfective compounds from seed plants in one of the most species-rich regions on Earth and identify clades with naturally occurring substances potentially suitable for the development of new pharmaceutical compounds. Specifically, we combine taxonomic and phylogenetic data for >7,500 seed plant species from the flora of Java with >16,500 secondary metabolites and 6,255 georeferenced occurrence records to 1) identify clades in the phylogeny that are characterized by either an overrepresentation ("hot clades") or an underrepresentation ("cold clades") of antiinfective compounds and 2) assess the spatial patterns of plants with antiinfective compounds relative to total plant diversity across the region. Across the flora of Java, we identify 26 "hot clades" with plant species providing a high probability of finding antibiotic constituents. In addition, 24 "cold clades" constitute lineages with low numbers of reported activities but which have the potential to yield novel compounds. Spatial patterns of plant species and metabolite diversity are strongly correlated across Java, indicating that regions of highest species diversity afford the highest potential to discover novel natural products. Our results indicate that the combination of phylogenetic, spatial, and phytochemical information is a useful tool to guide the selection of taxa for efforts aimed at lead compound discovery.
Identifiants
pubmed: 32393619
pii: 1915277117
doi: 10.1073/pnas.1915277117
pmc: PMC7275773
doi:
Substances chimiques
Anti-Infective Agents
0
Lead
2P299V784P
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
12444-12451Déclaration de conflit d'intérêts
The authors declare no competing interest.
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