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

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 high-tech, dedicated method is applied to construct 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q96CW1

UPID:
AP2M1_HUMAN

ALTERNATIVE NAMES:
AP-2 mu chain; Adaptin-mu2; Adaptor protein complex AP-2 subunit mu; Adaptor-related protein complex 2 subunit mu; Clathrin assembly protein complex 2 mu medium chain; Clathrin coat assembly protein AP50; Clathrin coat-associated protein AP50; HA2 50 kDa subunit; Plasma membrane adaptor AP-2 50 kDa protein

ALTERNATIVE UPACC:
Q96CW1; A6NE12; D3DNT1; P20172; P53679

BACKGROUND:
AP-2 complex subunit mu, also referred to as Clathrin coat assembly protein AP50, is a component of the AP-2 adaptor protein complex. It is essential for clathrin-dependent endocytosis, facilitating cargo protein incorporation into vesicles for early endosome fusion. The protein recognizes specific endocytosis signal motifs, playing a role in cargo selection and vesicle formation. Additionally, AP-2 is involved in the recycling of synaptic vesicle membranes, highlighting its importance in synaptic function.

THERAPEUTIC SIGNIFICANCE:
The association of AP-2 complex subunit mu with Intellectual developmental disorder, autosomal dominant 60, with seizures, highlights its therapeutic significance. Exploring the protein's role in membrane trafficking and synaptic function could lead to novel therapeutic approaches for treating related neurological conditions.

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