Focused On-demand Library for Tuberin

Focused On-demand Libraries - Receptor.AI 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.


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.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Receptor.AI
 
UPACC
P49815

UPID:
TSC2_HUMAN

ALTERNATIVE NAMES:
Tuberous sclerosis 2 protein

ALTERNATIVE UPACC:
P49815; A7E2E2; B4DIL8; B4DIQ7; B4DRN2; B7Z2B8; C9J378; O75275; Q4LE71; Q8TAZ1

BACKGROUND:
The Tuberous sclerosis 2 protein, or Tuberin, serves as a cornerstone in cellular growth control through its inhibition of mTORC1 signaling. By acting as a GTPase-activating protein for RHEB, Tuberin ensures the proper regulation of cell proliferation and size. Its role is further emphasized in microtubule-mediated transport and the regulation of Ras-related proteins, underlining its importance in maintaining cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Mutations affecting Tuberin are responsible for conditions such as Tuberous Sclerosis 2, Lymphangioleiomyomatosis, and Focal Cortical Dysplasia 2, highlighting its significance in human health. The exploration of Tuberin's functions and the pathways it influences presents a promising avenue for the development of novel therapeutic approaches aimed at mitigating the impact of these debilitating diseases.

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