AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Centrosomal protein of 19 kDa

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q96LK0

UPID:

CEP19_HUMAN

Alternative names:

-

Alternative UPACC:

Q96LK0; B2RA74; Q96I48

Background:

Centrosomal protein of 19 kDa (CEP19) plays a pivotal role in ciliation, essential for cellular signaling and development. It recruits the RABL2B GTPase to the ciliary base, initiating ciliation by capturing activated RABL2B. This complex then facilitates the entry of intraflagellar transport complex B into cilia, crucial for its assembly. CEP19 also aids in microtubule anchoring to centrosomes, underscoring its significance in cell division and structure.

Therapeutic significance:

CEP19's involvement in morbid obesity and spermatogenic failure, characterized by severe health complications such as hypertension, fatty liver disease, and type II diabetes, highlights its potential as a therapeutic target. Understanding the role of Centrosomal protein of 19 kDa could open doors to potential therapeutic strategies, offering hope for treating these multifaceted conditions.

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