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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P38606
UPID:
VATA_HUMAN
Alternative names:
V-ATPase 69 kDa subunit; Vacuolar ATPase isoform VA68; Vacuolar proton pump subunit alpha
Alternative UPACC:
P38606; B2RBR8; B7Z1R5; D3DN75; Q53YD9; Q96DY6; Q9UHY3
Background:
The V-type proton ATPase catalytic subunit A, also known as V-ATPase 69 kDa subunit, plays a crucial role in acidifying intracellular compartments and the extracellular environment in certain cell types. This protein is integral to various physiological processes, including iron homeostasis and neurite development. Its involvement in synaptic connectivity and virion uncoating during Rabies virus replication highlights its multifaceted role in biological systems.
Therapeutic significance:
Given its association with Cutis laxa, autosomal recessive, 2D, and Epileptic encephalopathy, infantile or early childhood, 3, understanding the V-type proton ATPase catalytic subunit A's function could pave the way for novel therapeutic strategies targeting these conditions. Its role in disease mechanisms offers a promising avenue for drug discovery.