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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.