AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Maspardin

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 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.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening 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

Reaxense

upacc

Q9NZD8

UPID:

SPG21_HUMAN

Alternative names:

Acid cluster protein 33; Spastic paraplegia 21 autosomal recessive Mast syndrome protein; Spastic paraplegia 21 protein

Alternative UPACC:

Q9NZD8; B4DW44; Q6ZMB6

Background:

Maspardin, also known as Acid cluster protein 33 and Spastic paraplegia 21 protein, plays a crucial role in the human body. It is implicated in CD4-dependent T-cell activation, acting as a negative regulatory factor. This protein's involvement in such a fundamental immune response process highlights its importance in maintaining immune system balance.

Therapeutic significance:

Maspardin is directly associated with Spastic paraplegia 21, an autosomal recessive neurodegenerative disorder. This disease manifests through progressive weakness and spasticity of the lower limbs, potentially leading to severe mobility issues and central nervous system abnormalities, including dementia. Understanding the role of Maspardin in this condition could pave the way for innovative therapeutic approaches targeting the underlying genetic variants.

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