Focused On-demand Library for Serine/threonine-protein kinase B-raf

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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 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
P15056

UPID:
BRAF_HUMAN

ALTERNATIVE NAMES:
Proto-oncogene B-Raf; p94; v-Raf murine sarcoma viral oncogene homolog B1

ALTERNATIVE UPACC:
P15056; A4D1T4; B6HY61; B6HY62; B6HY63; B6HY64; B6HY65; B6HY66; Q13878; Q3MIN6; Q9UDP8; Q9Y6T3

BACKGROUND:
The protein Serine/threonine-protein kinase B-raf, with alternative names such as p94 and v-Raf murine sarcoma viral oncogene homolog B1, is integral to transmitting mitogenic signals from the cell membrane to the nucleus. It plays a role in the postsynaptic responses of hippocampal neurons, emphasizing its importance in both cellular signaling and neurological processes.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in diseases like Cardiofaciocutaneous syndrome 1, Noonan syndrome 7, and LEOPARD syndrome 3, B-Raf represents a critical target for therapeutic intervention. Its role in these genetic disorders opens doors to potential therapeutic strategies, offering hope for affected individuals.

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