Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 employ our advanced, specialised process to create targeted 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
Q93050
UPID:
VPP1_HUMAN
Alternative names:
Clathrin-coated vesicle/synaptic vesicle proton pump 116 kDa subunit; Vacuolar adenosine triphosphatase subunit Ac116; Vacuolar proton pump subunit 1; Vacuolar proton translocating ATPase 116 kDa subunit a isoform 1
Alternative UPACC:
Q93050; B7Z3B7; Q8N5G7; Q9NSX0
Background:
V-type proton ATPase 116 kDa subunit a 1, also known as Vacuolar proton pump subunit 1, plays a pivotal role in cellular processes by acidifying various organelles and contributing to proton transport across membranes. This protein is integral to the V0 complex of the vacuolar(H+)-ATPase enzyme, crucial for lysosome, endosome, and synaptic vesicle function.
Therapeutic significance:
Linked to Developmental and epileptic encephalopathy 104 and Neurodevelopmental disorder with epilepsy and brain atrophy, V-type proton ATPase 116 kDa subunit a 1's understanding could pave the way for novel therapeutic approaches targeting these severe neurological conditions.