Solutions for challenging targets with difficulty in hit identification

Axcelead uses high-quality compound libraries and virtual screening techniques to design high-efficiency strategies for challenging targets. We also provide hit expansion services to generate more potent hit compounds. For the best possible start to your lead identification campaign, consider selecting Axcelead as your choice!

High-quality libraries for hit identification

We will nominate the optimum library sets for your HTS campaign from our diverse and comprehensive collection of compound libraries.

  • Pharma-origin extensive diversity libraries
  • Focused libraries (PPIs, RNAs, Kinases, GPCRs, Molecular Glue degraders, etc.)
  • Extended rule of five (taking drug likeness into consideration for 500+ molecular weight)
  • Covalent compounds, natural products derived compounds
  • Biologically annotated library (target identification of hit compound via phenotypic screening using library set with well-understood mechanisms of action)

【Diversity libraries】

Pooled libraries 500,000 compounds(320,000 standard compounds)
Single libraries
200,000 compounds

Pooled and single libraries predicated on drug likeness and diversity Axcelead boasts a range of specific libraries in areas such as core migration directivity, low cytotoxicity for cell-based screening, and fragments.

【Focused libraries】

  • Sorted by target class (PPIs, RNAs, Kinases, GPCRs, Molecular Glue degraders)
  • Macrocyclic
  • RNA
  • Covalent
  • Extended rule of 5
  • Natural product
  • Annotation

Axcelead has a biologically annotated library with information on mechanisms of action for use in phenotypic screening.

【Quality standards】

Virtual screening for efficient hit identification

Virtual screening minimizes the risk of encountering no-hits by making use of in silico technology that has been refined over many years in a pharmaceutical company. We employ a combination of random and virtual screening to ensure successful hit identification. This approach is particularly useful in cases where the available number of compounds is limited due to constraints in throughput and/or costs.

Advantages of virtual screening

  1. Identifies hits even for challenging targets
    ✓ Full access to Axcelead libraries (not available in random screening)
    ✓ Superior hit success rate
    ✓ Suitable for low ligandable targets such as PPI
  2. Hits can be optimized logically
    ✓ Target information can be incorporated into library design
    ✓ Easier to obtain hit compounds with desired mechanism of action, specific interaction, and chemical properties
    ✓ Reduced risk of false positives

Choosing the best virtual screening (VS) method

We have conducted numerous target campaigns and obtained successful hits every time. Drawing on extensive experience with virtual screenings and a wide range of target SBDD/LBDD, we design tailored solutions to suit each and every target.

Hit expansion for successful LG/LO

A solution for optimizing hit compounds provides the best possible start for your lead generation and/or optimization project. Medicinal chemistry and ADME-Tox experts provide advice during analysis of hit compounds to assist in identifying the most promising candidates.

Hit to Lead projects

Axcelead can help you find hits for even the most challenging targets!