Focused On-demand Library for ADP-ribosylation factor-like protein 8B

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


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
Receptor.AI
 
UPACC
Q9NVJ2

UPID:
ARL8B_HUMAN

ALTERNATIVE NAMES:
ADP-ribosylation factor-like protein 10C; Novel small G protein indispensable for equal chromosome segregation 1

ALTERNATIVE UPACC:
Q9NVJ2; B4DI85

BACKGROUND:
The ADP-ribosylation factor-like protein 8B, known for its critical functions in lysosomal transport and immune response, orchestrates lysosomal positioning vital for cellular processes. By recruiting PLEKHM2 and the motor protein kinesin-1, ARL8B ensures lysosomal and cytolytic granule exocytosis. Its involvement in NK cell-mediated cytotoxicity, synaptic function in neurons, and host defense mechanisms against microbial infections highlights its multifaceted role. ARL8B's interaction with the HOPS complex and its role in MHC II presentation underscore its importance in immune surveillance and response.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of ADP-ribosylation factor-like protein 8B could open doors to potential therapeutic strategies.

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