Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library stands out due to several important features:
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.