Focused On-demand Library for Spatacsin

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.


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


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


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
Receptor.AI
 
UPACC
Q96JI7

UPID:
SPTCS_HUMAN

ALTERNATIVE NAMES:
Colorectal carcinoma-associated protein; Spastic paraplegia 11 protein

ALTERNATIVE UPACC:
Q96JI7; A8KAX9; B9EK60; F5H3N6; Q4VC11; Q58G86; Q69YG6; Q6NW01; Q8N270; Q8TBU9; Q9H734

BACKGROUND:
The protein Spatacsin is implicated in maintaining neuronal cytoskeleton stability and synaptic vesicle transport. Known alternatively as Colorectal carcinoma-associated protein and Spastic paraplegia 11 protein, it is vital for neurite plasticity.

THERAPEUTIC SIGNIFICANCE:
Given Spatacsin's critical role in Spastic paraplegia 11, Amyotrophic lateral sclerosis 5, and Charcot-Marie-Tooth disease, exploring its functions opens doors to developing novel therapeutic approaches for these challenging neurodegenerative conditions.

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