Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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
O00499

UPID:
BIN1_HUMAN

ALTERNATIVE NAMES:
Amphiphysin II; Amphiphysin-like protein; Box-dependent myc-interacting protein 1; Bridging integrator 1

ALTERNATIVE UPACC:
O00499; O00297; O00545; O43867; O60552; O60553; O60554; O60555; O75514; O75515; O75516; O75517; O75518; Q659B7; Q92944; Q99688

BACKGROUND:
The protein Myc box-dependent-interacting protein 1, with alternative names such as Amphiphysin II, is pivotal in controlling plasma membrane shaping and remodeling. It negatively regulates endocytosis and is involved in sorting intracellular vesicles, affecting BACE1 trafficking and amyloid-beta production. In neurons, it may influence the internalization of PHF-tau aggregates, highlighting its role in cellular processes. Its ability to stabilize actin filaments against depolymerization further emphasizes its cellular significance.

THERAPEUTIC SIGNIFICANCE:
The association of Myc box-dependent-interacting protein 1 with Myopathy, centronuclear, 2, underscores its therapeutic potential. By elucidating its functions in membrane remodeling and its impact on muscle cell physiology, researchers can explore novel therapeutic avenues. Targeting the pathways regulated by this protein could lead to innovative treatments for the muscle weakness and wasting seen in this congenital disorder.

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