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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are 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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
P12235

UPID:
ADT1_HUMAN

ALTERNATIVE NAMES:
ADP,ATP carrier protein 1; ADP,ATP carrier protein, heart/skeletal muscle isoform T1; Adenine nucleotide translocator 1; Solute carrier family 25 member 4

ALTERNATIVE UPACC:
P12235; D3DP59

BACKGROUND:
The ADP/ATP translocase 1, with alternative names such as ADP,ATP carrier protein 1 and Solute carrier family 25 member 4, is a cornerstone in mitochondrial energy metabolism. It facilitates the crucial exchange of ATP and ADP between the mitochondria and the cytoplasm, thereby regulating cellular energy production. Its activity is finely balanced to modulate ATP synthesis and mitochondrial thermogenesis, playing a dual role in energy output and heat production.

THERAPEUTIC SIGNIFICANCE:
Given the association of ADP/ATP translocase 1 with mitochondrial disorders like Progressive external ophthalmoplegia and Mitochondrial DNA depletion syndrome, its study is paramount in the quest for novel therapeutic avenues. These disorders, manifesting as muscle weakness and cardiomyopathy, point to the protein's significance in mitochondrial health. The exploration of ADP/ATP translocase 1's function and its dysregulation offers a promising pathway to developing targeted therapies that could significantly improve the quality of life for affected individuals.

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