Focused On-demand Library for Receptor-type tyrosine-protein kinase FLT3

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
P36888

UPID:
FLT3_HUMAN

ALTERNATIVE NAMES:
FL cytokine receptor; Fetal liver kinase-2; Fms-like tyrosine kinase 3; Stem cell tyrosine kinase 1

ALTERNATIVE UPACC:
P36888; A0AVG9; B7ZLT7; B7ZLT8; F5H0A0; Q13414

BACKGROUND:
The FLT3 protein, known for its alternative names such as FL cytokine receptor and Stem cell tyrosine kinase 1, is a key player in hematopoiesis. It regulates the differentiation, proliferation, and survival of hematopoietic progenitor cells through its role as a receptor for FLT3LG. FLT3 activation leads to the phosphorylation and activation of multiple downstream effectors, including MAPK, MTOR, and STAT5, which are crucial for cellular signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Mutations in FLT3 are closely associated with the development of acute myelogenous leukemia (AML), a type of cancer affecting white blood cells. These mutations result in the constitutive activation of FLT3, contributing to the uncontrolled proliferation of myeloid blasts. Targeting FLT3 mutations presents a promising avenue for AML treatment, highlighting the therapeutic significance of understanding FLT3's role in disease pathogenesis.

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