AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Lysosome-associated membrane glycoprotein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our partner 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 high-tech, dedicated method is applied to construct targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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

Reaxense

upacc

P13473

UPID:

LAMP2_HUMAN

Alternative names:

CD107 antigen-like family member B; LGP-96

Alternative UPACC:

P13473; A8K4X5; D3DTF0; Q16641; Q6Q3G8; Q96J30; Q99534; Q9UD93

Background:

Lysosome-associated membrane glycoprotein 2 (LAMP2), also known as CD107 antigen-like family member B or LGP-96, plays a pivotal role in chaperone-mediated autophagy. This process is crucial for lysosomal degradation of proteins under stress or as part of normal protein turnover. LAMP2 binds target proteins like GAPDH, NLRP3, and MLLT11, directing them to lysosomal degradation. It is essential for autophagosome-lysosome fusion and efficient MHCII-mediated antigen presentation.

Therapeutic significance:

LAMP2's involvement in Danon disease, characterized by cardiomyopathy, vacuolar myopathy, and intellectual disability, underscores its therapeutic significance. Understanding LAMP2's role could unveil novel therapeutic strategies for lysosomal storage diseases and conditions related to autophagy dysfunction.

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