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.
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.
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
Q96MS0
UPID:
ROBO3_HUMAN
Alternative names:
Roundabout-like protein 3
Alternative UPACC:
Q96MS0
Background:
Roundabout homolog 3, also known as Roundabout-like protein 3, plays a pivotal role in neural development, particularly in axonal navigation and spinal cord development. It is essential for guiding commissural axons and hindbrain axon midline crossing, highlighting its significance in the proper formation of the neural tube.
Therapeutic significance:
The protein is linked to Gaze palsy, familial horizontal, with progressive scoliosis, 1, a neurologic disorder characterized by eye movement abnormalities and scoliosis. Understanding the role of Roundabout homolog 3 could open doors to potential therapeutic strategies for this and related neural developmental disorders.