Focused On-demand Library for ADP/ATP translocase 3

Focused On-demand Libraries - Reaxense 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 our partner Reaxense.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

Reaxense

upacc

P12236

UPID:

ADT3_HUMAN

Alternative names:

ADP,ATP carrier protein 3; ADP,ATP carrier protein, isoform T2; Adenine nucleotide translocator 3; Solute carrier family 25 member 6

Alternative UPACC:

P12236; Q96C49

Background:

ADP/ATP translocase 3, also known as Solute carrier family 25 member 6, plays a crucial role in cellular energy metabolism. It facilitates the exchange of ADP and ATP across the mitochondrial membrane, a process vital for ATP synthesis. This protein operates through an alternating access mechanism, transitioning between cytoplasmic-open and matrix-open states to regulate ATP availability. Additionally, it participates in mitochondrial uncoupling and the mitochondrial permeability transition pore (mPTP) activity, influencing cell death and thermogenesis.

Therapeutic significance:

Understanding the role of ADP/ATP translocase 3 could open doors to potential therapeutic strategies. Its involvement in ATP synthesis, mitochondrial uncoupling, and mPTP activity positions it as a key regulator of cellular energy output and survival, making it a target of interest in diseases related to energy metabolism and mitochondrial dysfunction.