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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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
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.
Key features that set our library apart include:
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.