AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for AP-2 complex subunit sigma

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.

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

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

Reaxense

upacc

P53680

UPID:

AP2S1_HUMAN

Alternative names:

Adaptor protein complex AP-2 subunit sigma; Adaptor-related protein complex 2 subunit sigma; Clathrin assembly protein 2 sigma small chain; Clathrin coat assembly protein AP17; Clathrin coat-associated protein AP17; HA2 17 kDa subunit; Plasma membrane adaptor AP-2 17 kDa protein; Sigma2-adaptin

Alternative UPACC:

P53680; B2R4Z4; O75977; Q6PK67

Background:

The AP-2 complex subunit sigma, known by various names including Adaptor protein complex AP-2 subunit sigma and Clathrin assembly protein 2 sigma small chain, plays a pivotal role in clathrin-dependent endocytosis. This process is essential for the internalization of membrane proteins, with AP-2 acting as a key adaptor in cargo selection and vesicle formation. Its ability to recognize specific endocytosis signal motifs within the cytosolic tails of transmembrane cargo molecules underscores its critical function in receptor-mediated endocytosis and synaptic vesicle membrane recycling.

Therapeutic significance:

Understanding the role of AP-2 complex subunit sigma could open doors to potential therapeutic strategies, particularly in the context of Hypocalciuric hypercalcemia, familial 3, a disorder linked to variants affecting this gene. This insight offers a promising avenue for developing targeted treatments for this and potentially other related disorders.

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