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 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96DA2
UPID:
RB39B_HUMAN
Alternative names:
-
Alternative UPACC:
Q96DA2; Q5JT79; Q8NEX3
Background:
Ras-related protein Rab-39B plays a pivotal role in autophagy, acting as a key regulator of intracellular membrane trafficking. This protein facilitates the transition of membranes through different stages of vesicle formation, movement, tethering, and fusion. It specifically influences the homeostasis of SNCA/alpha-synuclein and the synaptic transmission by regulating AMPAR composition at post-synapses.
Therapeutic significance:
Rab-39B is implicated in Intellectual developmental disorder, X-linked 72, characterized by intellectual deficiency and potentially autism, seizures, and macrocephaly. It is also associated with Waisman syndrome, which involves delayed psychomotor development and early-onset Parkinson disease. Understanding the role of Ras-related protein Rab-39B could open doors to potential therapeutic strategies for these neurological disorders.