AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for ADP/ATP translocase 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Reaxense

upacc

P05141

UPID:

ADT2_HUMAN

Alternative names:

ADP,ATP carrier protein 2; ADP,ATP carrier protein, fibroblast isoform; Adenine nucleotide translocator 2; Solute carrier family 25 member 5

Alternative UPACC:

P05141; B2RCV1; O43350

Background:

ADP/ATP translocase 2, also known as Solute carrier family 25 member 5, plays a crucial role in cellular energy metabolism. It facilitates the exchange of ADP and ATP across the mitochondrial membrane, balancing ATP production and thermogenesis. This protein is pivotal in mitochondrial uncoupling and the mitochondrial permeability transition pore (mPTP) activity, influencing cell death and thermoregulation.

Therapeutic significance:

Understanding the role of ADP/ATP translocase 2 could open doors to potential therapeutic strategies. Its involvement in mitochondrial function and energy metabolism makes it a target for addressing metabolic disorders and diseases related to mitochondrial dysfunction.

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