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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop 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
Q96KN7
UPID:
RPGR1_HUMAN
Alternative names:
-
Alternative UPACC:
Q96KN7; Q7Z2W6; Q8IXV5; Q96QA8; Q9HB94; Q9HB95; Q9HBK6; Q9NR40
Background:
X-linked retinitis pigmentosa GTPase regulator-interacting protein 1 plays a crucial role in photoreceptor cell survival. It acts as a scaffolding protein, essential for the proper location of RPGR in photoreceptor cells, disk morphogenesis, and organization in the outer segment, ensuring photoreceptor cell longevity.
Therapeutic significance:
Linked to Leber congenital amaurosis 6 and Cone-rod dystrophy 13, this protein's understanding could pave the way for innovative treatments targeting these severe retinal dystrophies, offering hope for preserving vision.