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.
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.
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.
Our top-notch dedicated system is used to design specialised 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O95166
UPID:
GBRAP_HUMAN
Alternative names:
GABA(A) receptor-associated protein; MM46
Alternative UPACC:
O95166
Background:
Gamma-aminobutyric acid receptor-associated protein, also known as GABA(A) receptor-associated protein or MM46, plays a crucial role in the intracellular transport of GABA(A) receptors and their interaction with the cytoskeleton. It is essential in autophagy, particularly in autophagosome maturation and the remodeling of the endoplasmic reticulum into autophagosomes upon nutrient stress. Additionally, it activates the CUL3(KBTBD6/7) E3 ubiquitin ligase complex, influencing cell migration and proliferation.
Therapeutic significance:
Understanding the role of Gamma-aminobutyric acid receptor-associated protein could open doors to potential therapeutic strategies.