Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9H0C2
UPID:
ADT4_HUMAN
Alternative names:
ADP,ATP carrier protein 4; Adenine nucleotide translocator 4; Solute carrier family 25 member 31; Sperm flagellar energy carrier protein
Alternative UPACC:
Q9H0C2
Background:
ADP/ATP translocase 4, also known as Solute carrier family 25 member 31, plays a crucial role in cellular energy metabolism by mediating the exchange of ADP and ATP across the mitochondrial membrane. This protein is pivotal for ATP synthesis, fueling cellular processes. It operates through an alternating access mechanism, facilitating the transport of nucleotides in and out of the mitochondria, essential for spermatogenesis and mitochondrial functions such as uncoupling and permeability transition pore activity.
Therapeutic significance:
Understanding the role of ADP/ATP translocase 4 could open doors to potential therapeutic strategies.