Focused On-demand Library for Tyrosine-protein kinase Fyn

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Reaxense

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:

Tyrosine-protein kinase Fyn, known as Proto-oncogene Syn, plays a pivotal role in various biological processes, including cell growth, survival, and immune response. It functions by phosphorylating a range of substrates involved in cell adhesion, cytoskeletal remodeling, and neural processes. Activation of Fyn leads to its association with PTK2/FAK1, crucial for cell motility and adhesion.

Therapeutic significance:

Understanding the role of Tyrosine-protein kinase Fyn could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways and cell regulation processes makes it a promising target for drug discovery efforts aimed at treating diseases linked to cell growth, survival, and immune responses.