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.


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


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
P61106

UPID:
RAB14_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P61106; B3KR31; P35287; Q5JVD4; Q6Q7K5; Q969L0; Q9UI11

BACKGROUND:
The Ras-related protein Rab-14 is integral to early embryonic development, facilitating the critical Golgi to endosome transport of FGFR-containing vesicles. This process is essential for the formation of the basement membrane and the differentiation of epiblast and primitive endoderm lineages. Rab-14, alongside its guanine nucleotide exchange factor DENND6A, regulates the specific endocytic transport of ADAM10, playing a significant role in N-cadherin/CDH2 shedding and cell-cell adhesion.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ras-related protein Rab-14 offers a promising avenue for developing therapeutic interventions. Its regulatory role in membrane trafficking and cell adhesion processes makes it a potential target for addressing developmental abnormalities and enhancing tissue repair mechanisms.

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