Focused On-demand Library for Centrosomal protein of 41 kDa

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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q9BYV8

UPID:

CEP41_HUMAN

Alternative names:

Testis-specific gene A14 protein

Alternative UPACC:

Q9BYV8; A4D1M0; B4DQ35; F5H0V6; Q7Z496; Q86TM1; Q8NFU8; Q9H6A3; Q9NPV3

Background:

The Centrosomal protein of 41 kDa, also known as Testis-specific gene A14 protein, plays a pivotal role in ciliogenesis by facilitating tubulin glutamylation within the cilium. This process is crucial for the proper assembly and function of cilia, with the protein aiding in the transport of TTLL6, a tubulin polyglutamylase, to ensure efficient ciliary function.

Therapeutic significance:

Given its essential role in ciliogenesis and the development of Joubert syndrome 15, a disorder characterized by cerebellar ataxia, oculomotor apraxia, and additional variable features, the Centrosomal protein of 41 kDa represents a promising target for therapeutic intervention. Understanding the role of this protein could open doors to potential therapeutic strategies aimed at mitigating the symptoms or possibly correcting the underlying causes of Joubert syndrome 15.