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.
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.
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
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q99766
UPID:
ATP5S_HUMAN
Alternative names:
ATP synthase-coupling factor B; Distal membrane arm assembly complex 2-like protein; Mitochondrial ATP synthase regulatory component factor B
Alternative UPACC:
Q99766; A8K1U3; D9N156; Q8WWX3; Q96F77
Background:
ATP synthase subunit s, mitochondrial, also known as ATP synthase-coupling factor B, plays a pivotal role in cellular energy production. It regulates mitochondrial membrane ATP synthase, essential for ATP synthesis, by preventing proton leakage. This ensures efficient energy-driven catalysis of ATP, vital for cellular functions.
Therapeutic significance:
Understanding the role of ATP synthase subunit s, mitochondrial could open doors to potential therapeutic strategies.