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.
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.
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.
Our top-notch dedicated system is used to design specialised 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
Q9UDR5
UPID:
AASS_HUMAN
Alternative names:
LKR/SDH
Alternative UPACC:
Q9UDR5; O95462
Background:
Alpha-aminoadipic semialdehyde synthase, mitochondrial, also known as LKR/SDH, plays a pivotal role in lysine degradation. This bifunctional enzyme catalyzes the initial steps, crucial for maintaining amino acid balance and energy production within cells.
Therapeutic significance:
The enzyme's malfunction is linked to Hyperlysinemia, 1, and 2,4-dienoyl-CoA reductase deficiency, diseases characterized by metabolic and neurological disturbances. Targeting the enzyme's pathways offers a promising avenue for therapeutic intervention in these conditions.