Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
Q9UBP0

UPID:
SPAST_HUMAN

ALTERNATIVE NAMES:
Spastic paraplegia 4 protein

ALTERNATIVE UPACC:
Q9UBP0; A7E2A7; Q9UPR9

BACKGROUND:
The protein Spastin, or Spastic paraplegia 4 protein, is crucial for microtubule severing, particularly targeting polyglutamylated microtubules. Its activities are essential for cellular microtubule array reorganization, axonal, spindle, and cilia maintenance. Additionally, Spastin plays roles in cytokinesis, nuclear envelope reassembly during anaphase, and membrane trafficking, showcasing its multifaceted biological significance.

THERAPEUTIC SIGNIFICANCE:
Given Spastin's link to Spastic paraplegia 4, an autosomal dominant neurodegenerative disorder, its study is paramount in the quest for therapeutic interventions. Understanding the role of Spastin could open doors to potential therapeutic strategies, offering hope for affected individuals.

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