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.
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 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
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O15020
UPID:
SPTN2_HUMAN
Alternative names:
Beta-III spectrin; Spinocerebellar ataxia 5 protein
Alternative UPACC:
O15020; O14872; O14873
Background:
Spectrin beta chain, non-erythrocytic 2, also known as Beta-III spectrin and Spinocerebellar ataxia 5 protein, plays a crucial role in the neuronal membrane skeleton. Its involvement in maintaining cell structure and function highlights its importance in neural health and disease.
Therapeutic significance:
Linked to Spinocerebellar ataxia 5 and SCAR14, this protein's genetic variants underscore its role in neurodegenerative disorders. Understanding its function could pave the way for novel therapeutic approaches targeting these debilitating conditions.