AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tripartite motif-containing protein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

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

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 for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9C040

UPID:

TRIM2_HUMAN

Alternative names:

E3 ubiquitin-protein ligase TRIM2; RING finger protein 86; RING-type E3 ubiquitin transferase TRIM2

Alternative UPACC:

Q9C040; D3DP09; O60272; Q9BSI9; Q9UFZ1

Background:

Tripartite motif-containing protein 2 (TRIM2), also known as E3 ubiquitin-protein ligase TRIM2 or RING finger protein 86, plays a pivotal role in the nervous system. It is involved in the UBE2D1-dependent ubiquitination of NEFL and phosphorylated BCL2L11, contributing to neuroprotection and neuronal rapid ischemic tolerance. Additionally, TRIM2 has a role in antiviral immunity, particularly against New World arenavirus infections.

Therapeutic significance:

TRIM2's involvement in Charcot-Marie-Tooth disease, axonal, 2R, a peripheral nervous system disorder characterized by muscle weakness and atrophy, highlights its therapeutic potential. Understanding TRIM2's function could lead to novel treatments for this and related neuropathies.

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