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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q86VV8
UPID:
RTTN_HUMAN
Alternative names:
-
Alternative UPACC:
Q86VV8; Q68CS9; Q6ZRL8; Q6ZTK3; Q86TG4; Q8N8N8; Q8TBQ4; Q96IN9; Q9UFJ4
Background:
Rotatin is a pivotal protein involved in the genetic cascade that governs left-right specification, playing a crucial role in maintaining a normal ciliary structure. It is essential for the correct asymmetric expression of key developmental genes such as NODAL, LEFTY, and PITX2.
Therapeutic significance:
Rotatin's mutation is linked to Microcephaly, short stature, and polymicrogyria with or without seizures, a condition characterized by brain surface irregularities and intellectual disabilities. Understanding Rotatin's role could unveil new therapeutic strategies for this and potentially other ciliopathies.