AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Centrosomal protein of 290 kDa

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

O15078

UPID:

CE290_HUMAN

Alternative names:

Bardet-Biedl syndrome 14 protein; Cancer/testis antigen 87; Nephrocystin-6; Tumor antigen se2-2

Alternative UPACC:

O15078; Q1PSK5; Q66GS8; Q9H2G6; Q9H6Q7; Q9H8I0

Background:

Centrosomal protein of 290 kDa, also known as Nephrocystin-6, plays a pivotal role in cilia formation and function. It is essential for the centrosomal recruitment of RAB8A, ciliary transport processes, and the integrity of the BBSome complex, crucial for ciliary membrane composition and phototransduction protein localization in retinal cells.

Therapeutic significance:

Given its involvement in Joubert syndrome 5, Senior-Loken syndrome 6, Leber congenital amaurosis 10, Meckel syndrome 4, and Bardet-Biedl syndrome 14, understanding the role of Centrosomal protein of 290 kDa could open doors to potential therapeutic strategies for these ciliopathies.

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