Focused On-demand Libraries - Receptor.AI 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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
O00203

UPID:
AP3B1_HUMAN

ALTERNATIVE NAMES:
Adaptor protein complex AP-3 subunit beta-1; Adaptor-related protein complex 3 subunit beta-1; Beta-3A-adaptin; Clathrin assembly protein complex 3 beta-1 large chain

ALTERNATIVE UPACC:
O00203; E5RJ68; O00580; Q7Z393; Q9HD66

BACKGROUND:
Adaptor-related protein complex 3 subunit beta-1, known as AP-3 complex subunit beta-1, is integral to the sorting and delivery of proteins to lysosomes and related organelles. It functions within the adaptor protein complex 3 (AP-3) to mediate clathrin assembly on membranes and identify sorting signals in cargo molecules' cytosolic tails. This process is crucial for the proper targeting of proteins to lysosomes, impacting cellular clearance and homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in protein sorting and the pathogenesis of Hermansky-Pudlak syndrome 2, which includes symptoms like immunodeficiency and increased infection susceptibility, the AP-3 complex subunit beta-1 presents a promising target for therapeutic intervention. Exploring its function further could unveil new pathways for treating lysosomal storage diseases and related immunodeficiencies.

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