Back to Search
Start Over
Scaffold Diversity of Fungal Metabolites
- Source :
- Frontiers in Pharmacology
- Publication Year :
- 2017
-
Abstract
- Many drug discovery projects rely on commercial compounds to discover active leads. However, current commercial libraries, with mostly synthetic compounds, access a small fraction of the possible chemical diversity. Natural products, in contrast, possess a vast structural diversity and have proven to be an outstanding source of new drugs. Several chemoinformatic analyses of natural products have demonstrated their diversity and structural complexity. However, to our knowledge, the scaffold content and structural diversity of fungal secondary metabolites have never been studied. Herein, the scaffold diversity of 223 fungal metabolites was measured and compared to the diversity of approved drugs and commercial libraries for HTS containing natural, synthetic, and semi-synthetic compounds. In addition, the global diversity of the fungal isolates was assessed and compared to other reference data sets using Consensus Diversity Plots, a chemoinformatic tool recently developed. It was concluded that fungal secondary metabolites are cyclic systems with few ramifications and more diverse than the commercial libraries with natural products and semi-synthetic compounds. The fungal metabolites data set was one of the most structurally diverse, containing a large proportion of different and unique scaffolds not found in the other compound data sets including ChEMBL. Therefore, fungal metabolites offer a rich source of molecules suited for identifying diverse candidates for drug discovery.
- Subjects :
- 0301 basic medicine
Scaffold
molecular diversity
natural products
media_common.quotation_subject
Computational biology
Biology
Bioinformatics
01 natural sciences
03 medical and health sciences
Pharmacology (medical)
fungal metabolites
consensus diversity plots
media_common
Original Research
Pharmacology
Drug discovery
cheminformatics
generative topographic mapping
respiratory system
chEMBL
Global diversity
Chemical space
0104 chemical sciences
010404 medicinal & biomolecular chemistry
030104 developmental biology
Cheminformatics
chemical space
Chemical diversity
human activities
Diversity (politics)
Subjects
Details
- ISSN :
- 16639812
- Volume :
- 8
- Database :
- OpenAIRE
- Journal :
- Frontiers in pharmacology
- Accession number :
- edsair.doi.dedup.....0f3bdad72e57cd4d1a8cd9e62295e882