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Wiley released AntiBase Library 2024 – the Latest Version of Wiley Identifier of Natural Products

Su, 28.4.2024
| Original article from: LabRulez
An effective screening tool for Metabolomics and DrugDiscovery workflows, this library now provides access to over 95,000 natural products.
- **Photo:** Wiley: AntiBase Natural Products Library
  • Photo: Wiley: AntiBase Natural Products Library

The Wiley Identifier of Natural Products (AntiBase Library + ChemWindow®) is a comprehensive natural products database for compound screening and other applications in natural compound research.

Originally developed by Dr. Hartmut Laatsch, the renowned AntiBase Library consists of more than 95,800 compounds. And with the latest release we've added over 60% more compounds!

Widely cited in scientific literature, this growing database is an effective screening tool for metabolomics and drug discovery where natural products and derivatives can accelerate treatments in for cancer, diabetes, disease, and antimicrobial or antifungal research.

Now includes Wiley’s ChemWindow software to securely search the collection, plus powerful tools build your own databases, draw structures, and more.

Wiley: AntiBase Library – Wiley Identifier of Natural Products: Overview.

Applications

  • Incorporate in high-throughput screening (HTS) and dereplication workflows in pharma and biotech to quickly identify compounds already studied to streamline the search for novel compounds having antimicrobial or desired effects.
  • Use throughout various industries such as food & cosmetics, agriculture, pesticides, and other applications where natural products are prevalent or in academic programs and research.

What's New in the 2024 Release

  • We've increased the collection by over 60% with the addition of 37,000 new compounds, including compounds from the Natural Product Atlas
  • Computed IR and CNMR spectra have been added to the database
  • Helpful links to additional well-known resources have been added including ZINC, KEGG, and ChEMBL

Trusted Data from a Trusted Source

Wiley is an authoritative source for scientific data. Our renowned databases are processed according to rigorous protocols to ensure they are of the highest quality. Qualification procedures start at data acquisition and continue throughout the database development process. Any data acquired from trusted partners is thoroughly vetted before inclusion in our collections.

Key Features

Carefully curated and verified data

Data is collected from primary and secondary literature; then carefully checked and validated with key references and sources provided as a data field.

Valuable metadata to help you narrow results

In addition to chemical structures, records contain searchable metadata where available such as:

  • Compound properties such as molecular formula, mass, composition, class, geo-location, melting point, optical rotation, and others
  • Biological activity data
  • Convenient links to related references such as literature DOIs, Human Metabolome Database (HMDB), ZINC, KEGG, ChEMBL
Spectral data to aid in characterization
  • AntiBase now provides access to over 17K IR and over 41K ¹³C NMR spectra (computed using Wiley’s measured reference spectra and proprietary AI technologies)
  • Records also include peak data for multiple techniques including IR, HRMS, MS, UV, HNMR
Helpful links direct to related references

Quick access to related references for ease of use: DOI literature link, Human Metabolome Database (HMDB), ZINC, KEGG, ChEMBL

Powerful tools for data mining and databasing

Now includes Wiley’s ChemWindow software to search the collection, plus powerful tools build your own databases, draw structures, and more.

Compound Coverage

The database includes compounds from these biological sources:

  • Algae
  • Animals
  • Bacteria
  • Cyanobacteria
  • Dinoflagellate
  • Fungi
  • Lichens
  • Myxobacteria
  • Plants
  • Protozoan
  • Slime mold
  • Yeast

Wiley: AntiBase Library – Wiley Identifier of Natural Products: compound coverage

Library Specifications

  • Natural Product Compounds: 95,840
  • Chemical Structures: 92,832
  • Compound Classification Data: 24,366
  • Source/Origin Data: 92,269/ 11,159
  • Biological Activity Data: 34,292
  • Optical Rotation (OR) Values: 16,442
  • Melting Point Data: 7,067
  • MS Peak Data: 10,089
  • IR Peak Data: 11,502
  • Predicted IR Spectra: 17,732
  • H-NMR Peak Data: 2,211
  • C-NMR Peak Data: 17,927
  • Predicted C-NMR Spectra: 41,760
  • UV Peak Data: 17,397
  • Literature References: 95,170
  • HMDB References: 2,216
  • ZINC References: 1,848
  • KEGG References: 755
  • ChEMBL References: 7,288

Compatibility

The Wiley Identifier of Natural Products includes and is compatible with the KnowItAll ChemWindow Edition software. It can also be used with other editions of the KnowItAll software you are using.

Use Cases from Literature

The AntiBase Library has been referenced over 1,500 times in Google Scholar. Here are a few of the many examples of how scientists use this database in various applications.

Discovery of actinomycin L, a new member of the actinomycin family of antibiotics.¹

Summary: Streptomycetes produce bioactive natural products, including a majority of naturally produced antibiotics. Two new actinomycin analogues produced by Streptomyces sp. MBT27, actinomycin L1 and L2, have been discovered. Dereplication was performed using Reaxys, ChemSpider, and AntiBase. Mass features of existing natural products were annotated while one mass feature with an m/z value of 1387.6706 [M + H]+ could not be matched to any previously reported natural products.

New Metabolites From the Endophytic Fungus Cercophora samala Associated With Mitragyna inermis

Summary: Mitragyna inermis is a small tree species that grows in West Africa that has been used in traditional medicine to treat a number of conditions. Two new metabolites from this tree species have been isolated and have had their structures elucidated by comparison of their spectroscopic data with those reported in AntiBase and by DFT calculations.

Combination of high-throughput microfluidics and FACS technologies to leverage the numbers game in natural product discovery.³

Summary: To facilitate the discovery of natural products, a screening method was developed using a combination of droplet microfluidics and fluorescence-activated cell sorting-based technologies. This method was utilized to assess a microbial environmental sample. To identify the natural products, molecular formula searches were performed using AntiBase.

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