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.


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


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

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 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
Q9ULD0

UPID:
OGDHL_HUMAN

ALTERNATIVE NAMES:
2-oxoglutarate dehydrogenase complex component E1-like; Alpha-ketoglutarate dehydrogenase-like

ALTERNATIVE UPACC:
Q9ULD0; A8K2G1; B4DKG2; B4E193; Q8TAN9; Q9NVA0

BACKGROUND:
The mitochondrial 2-oxoglutarate dehydrogenase-like protein, alternatively named alpha-ketoglutarate dehydrogenase-like, is integral to the 2-oxoglutarate dehydrogenase multienzyme complex. This complex is crucial for the decarboxylation of alpha-ketoglutarate in the tricarboxylic acid cycle, a central pathway for cellular energy production. Its activity in the mitochondrion underscores its significance in metabolic processes.

THERAPEUTIC SIGNIFICANCE:
Given its association with Yoon-Bellen neurodevelopmental syndrome, the protein's study is pivotal in understanding neurodevelopmental disorders. The exploration of 2-oxoglutarate dehydrogenase-like, mitochondrial's function could lead to innovative therapeutic approaches for neurodevelopmental and mitochondrial diseases.

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