Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 utilise our cutting-edge, exclusive workflow to develop 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8NEZ2
UPID:
VP37A_HUMAN
Alternative names:
ESCRT-I complex subunit VPS37A; Hepatocellular carcinoma-related protein 1
Alternative UPACC:
Q8NEZ2; Q336D5; Q6NW27; Q8N3D7; Q8TBL7; Q96DL9
Background:
Vacuolar protein sorting-associated protein 37A (VPS37A), also known as ESCRT-I complex subunit VPS37A and Hepatocellular carcinoma-related protein 1, plays a crucial role in the ESCRT-I complex. This complex is pivotal for the sorting of endocytic ubiquitinated cargos into multivesicular bodies, a process essential for cell growth and differentiation.
Therapeutic significance:
VPS37A's involvement in Spastic paraplegia 53, an autosomal recessive neurodegenerative disorder, underscores its potential as a therapeutic target. Understanding the role of VPS37A could open doors to potential therapeutic strategies for treating this debilitating condition.