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Compound Libraries Natural-Product-Based Library

Natural-Product-Based Library

Catalog No. NY1000
  Library Compound List   Excel SDF

Historically, natural products have been pharma's treasure trove. According to the Natural Products Library Initiative at the Scripps Research Institute, "from 1940s to date, 131 (74.8%) out of 175 small molecule anticancer drugs are natural product-based/inspired, with 85 (48.6%) being either natural products or derived therefrom. From 1981 to date, 79 (80%) out of 99 small molecule anticancer drugs are natural product-based/inspired, with 53 (530/0) being either natural products or derived there from. “In a sense, this is not surprising. In nature, after all, creatures — and at the more basic level, structures, such as receptors and their ligands — have been co—evolving for billions of years.

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100 μL * 10 mM (in DMSO) 35058.00
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1 mg inquiry
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Despite that sort of a track record, pharma industry was turning away from natural products with the rise of combinatorial chemistry. The most probable reasons for this were:

  • Reluctance in the pharmaceutical industry to investigate natural products because of their structural including stereochemical complexity (strict timelines issue).
  • Challenging isolation of individual compounds from natural sources.
  • Difficulties in analogues synthesis (e.g., for H2L optimization).
  • Negative impact of the key med-chem trends (e.g., Lipinski ROS).
  • Limited accessibility from natural sources and/or difficult synthetic accessibility etc.

Nevertheless. natural products as well as their derivatives continue to play a significant role in the discovery of new approved therapies, as they have done since the earliest days of medicinal research. Thus, Butler highlights that 21 natural-product-derived drugs were approved for use in Western markets during the period 1998-2004 A more recent update to this indicates an additional 19 natural-product-derived approvals during the period January 2005 to April 2010 Natural products have proven successful modulators of difficult targets such as a range of antibacterial targets and, especially, protein—protein interactions Furthermore, many researchers consider natural products and their derivatives as a privileged tools for the study and manipulation of protein function In general, renaissance of the pharma industry interest toward natural products research is observed nowadays since they provide a unique biologically relevant chemical space, especially for difficult, traditionally intractable but nevertheless high value targets. Many methodologies and approaches have been developed to eliminate the above-mentioned obstacles to research and, accordingly, to a wider application of natural substances in drug discovery. Synthesis of natural-product-derived compounds is one of them. In this case, libraries are generated around a scaffold that is identical to that of the leading natural product and which is obtained by means of chemical modification or degradation- The library members are then synthesized (preferably in combinatorial synthesis mode) from the scaffold using a step-by-step derivatization. The substitution pattern, stereochemistry, and structure of the scaffold may be set as in the natural product itself. This promising approach has been already applied at TargetMol to synthesize small cytosine-based library Furthermore, it has been successfully used to build up more than 4000 members library based on some readily available natural

Product Description

  • The library consists of more than 4,000 members belonging 22 scaffolds (average 180 compounds per scaffold).
  • The library includes the following sub-libraries:
  • Cytisine-based sub-library
  • Matrine-based sub-library
  • Podophyllotoxin-based sub-library
  • Sub-library based on naturally occurring privileged BBS such ashydroxy-prolines, triptamine, nor-tropolone etc.
  • TargetMol "Beyond RO5" filters have been applied for the library population (See Phys-chem parameters for the library members).
  • NO Med-Chem restrictions (widely accepted and proprietary TargetMol substructure filters on reactive functionalities, toxicophoric, instability suspicions etc.).
  • More than 90% purity for each library member confirmed by LC-MS or NMR analysis.

Library Customization

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Packaging And Storage

  • Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
  • Shipped with blue ice
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