Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.


Our high-tech, dedicated method is applied to construct 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 distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P11166

UPID:
GTR1_HUMAN

ALTERNATIVE NAMES:
Glucose transporter type 1, erythrocyte/brain; HepG2 glucose transporter

ALTERNATIVE UPACC:
P11166; A8K9S6; B2R620; D3DPX0; O75535; Q0P512; Q147X2

BACKGROUND:
The Solute carrier family 2, facilitated glucose transporter member 1, known for its role in glucose transport into the brain, is vital for maintaining cerebral energy levels. Its ability to transport a wide range of sugars underlines its importance in metabolic processes. The protein's presence at the blood-brain barrier facilitates the energy-independent transport of glucose, crucial for brain function.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Solute carrier family 2, facilitated glucose transporter member 1 could open doors to potential therapeutic strategies. Its involvement in diseases such as GLUT1 deficiency syndrome and various forms of epilepsy and dystonia highlights its significance in neurologic disease mechanisms and the potential for targeted treatments.

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