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.
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.
We use our state-of-the-art dedicated workflow for designing 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O95425
UPID:
SVIL_HUMAN
Alternative names:
Archvillin; p205/p250
Alternative UPACC:
O95425; D3DRW9; M1J557; O60611; O60612; Q5VZK5; Q5VZK6; Q9H1R7
Background:
Supervillin, known by its alternative names Archvillin and p205/p250, plays a pivotal role in cellular mechanics and structure. It forms a high-affinity link between the actin cytoskeleton and the membrane, contributing to myogenic membrane structure and differentiation. Its involvement in myosin II assembly and modulation, as well as its role in cell migration and cytokinesis, underscores its importance in cellular dynamics.
Therapeutic significance:
Linked to Myopathy, myofibrillar, 10, a disorder characterized by muscle pain and progressive rigidity, Supervillin's genetic variants highlight its clinical relevance. Understanding the role of Supervillin could open doors to potential therapeutic strategies for treating such neuromuscular disorders.