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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our high-tech, dedicated method is applied to construct targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8N0X7
UPID:
SPART_HUMAN
Alternative names:
Spastic paraplegia 20 protein; Trans-activated by hepatitis C virus core protein 1
Alternative UPACC:
Q8N0X7; O60349; Q86Y67; Q9H1T2; Q9H1T3
Background:
Spartin, also known as Spastic paraplegia 20 protein and Trans-activated by hepatitis C virus core protein 1, plays a crucial role in endosomal trafficking and microtubule dynamics. It is also involved in cytokinesis, highlighting its multifaceted role in cellular processes.
Therapeutic significance:
Spartin's mutation leads to Spastic paraplegia 20, a neurodegenerative disorder marked by progressive weakness and spasticity of the lower limbs. Understanding Spartin's function could pave the way for innovative treatments for this debilitating condition.