Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


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 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.


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
O94973

UPID:
AP2A2_HUMAN

ALTERNATIVE NAMES:
100 kDa coated vesicle protein C; Adaptor protein complex AP-2 subunit alpha-2; Adaptor-related protein complex 2 subunit alpha-2; Alpha-adaptin C; Alpha2-adaptin; Clathrin assembly protein complex 2 alpha-C large chain; Huntingtin yeast partner J; Huntingtin-interacting protein 9; Huntingtin-interacting protein J; Plasma membrane adaptor HA2/AP2 adaptin alpha C subunit

ALTERNATIVE UPACC:
O94973; O75403; Q53ET1; Q96SI8

BACKGROUND:
The AP-2 complex subunit alpha-2, identified by various names such as Alpha-adaptin C and Huntingtin-interacting protein 9, is integral to the adaptor protein complex 2 (AP-2). This complex is essential for protein transport in membrane traffic pathways, particularly in clathrin-coated vesicle (CCV) formation and receptor-mediated endocytosis. It also plays a role in the non-clathrin pathway regulated by ARF6, highlighting its versatility in cellular trafficking processes.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of AP-2 complex subunit alpha-2 could open doors to potential therapeutic strategies.

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