Focused On-demand Library for Tyrosine-protein kinase Fyn

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P06241

UPID:
FYN_HUMAN

ALTERNATIVE NAMES:
Proto-oncogene Syn; Proto-oncogene c-Fyn; Src-like kinase; p59-Fyn

ALTERNATIVE UPACC:
P06241; B5BU57; E1P557; H0UI48; Q16248; Q5R3A6; Q5R3A7; Q8N5D7

BACKGROUND:
The Tyrosine-protein kinase Fyn, also referred to as Src-like kinase or p59-Fyn, is integral to cell signaling, impacting cell adhesion, motility, and the immune system. It phosphorylates proteins like CTNNB1 and MAPT, influencing cytoskeletal dynamics and cell survival. Fyn's activation is essential for T-cell differentiation and proliferation, highlighting its role in immune response modulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Tyrosine-protein kinase Fyn holds the key to unlocking novel therapeutic avenues. Given its central role in regulating cell behavior and immune responses, targeting Fyn with specific inhibitors or modulators could lead to breakthrough treatments for disorders associated with abnormal cell growth and immune dysregulation.

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