Focused On-demand Library for Tyrosine-protein kinase Fes/Fps

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

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

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Reaxense

upacc

P07332

UPID:

FES_HUMAN

Alternative names:

Feline sarcoma/Fujinami avian sarcoma oncogene homolog; Proto-oncogene c-Fes; Proto-oncogene c-Fps; p93c-fes

Alternative UPACC:

P07332; B2R6E6; B4DUD0; E9PC94; E9PC95; Q2VXS7; Q2VXS8; Q2VXT0; Q6GTU5

Background:

Tyrosine-protein kinase Fes/Fps, known by alternative names such as Feline sarcoma/Fujinami avian sarcoma oncogene homolog, plays a pivotal role in cellular processes including actin cytoskeleton regulation, microtubule assembly, and cell migration. It acts downstream of cell surface receptors, influencing cell attachment, spreading, and differentiation. Its involvement in mast cell degranulation and neurite outgrowth in response to NGF signaling highlights its multifunctional nature.

Therapeutic significance:

Understanding the role of Tyrosine-protein kinase Fes/Fps could open doors to potential therapeutic strategies. Its critical functions in cell signaling pathways offer a promising avenue for targeted drug discovery, aiming to modulate its activity in disease contexts.