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.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96AX1
UPID:
VP33A_HUMAN
Alternative names:
-
Alternative UPACC:
Q96AX1; Q547V4; Q9H5Q0
Background:
Vacuolar protein sorting-associated protein 33A (VPS33A) is crucial for protein trafficking to lysosomal compartments, including endocytic membrane transport and autophagy pathways. It is a core component of HOPS and CORVET endosomal tethering complexes, facilitating the Rab5-to-Rab7 endosome conversion, essential for membrane fusion processes.
Therapeutic significance:
VPS33A's involvement in Mucopolysaccharidosis-plus syndrome, a lysosomal storage disease, highlights its potential as a therapeutic target. Understanding the role of VPS33A could open doors to potential therapeutic strategies.