Focused On-demand Library for Bardet-Biedl syndrome 4 protein

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

Q96RK4

UPID:

BBS4_HUMAN

Alternative names:

Alternative UPACC:

Q96RK4; B4E178; Q53DZ5; Q8NHU9; Q96H45

Background:

The Bardet-Biedl syndrome 4 protein plays a pivotal role in the BBSome complex, crucial for sorting specific membrane proteins to primary cilia and ciliogenesis. It facilitates the Rab8 GDP/GTP exchange factor's localization to the basal body, promoting ciliary membrane extension. This protein is essential for proper BBSome complex assembly and ciliary localization, contributing significantly to microtubule anchoring at the centrosome.

Therapeutic significance:

Given its critical role in Bardet-Biedl syndrome 4, characterized by severe pigmentary retinopathy, obesity, and other systemic manifestations, understanding the Bardet-Biedl syndrome 4 protein could unveil novel therapeutic strategies. Targeting its pathway offers potential for treating this autosomal recessive disorder, emphasizing the importance of research in this area.