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 use our state-of-the-art dedicated workflow for designing 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P21281
UPID:
VATB2_HUMAN
Alternative names:
Endomembrane proton pump 58 kDa subunit; HO57; Vacuolar proton pump subunit B 2
Alternative UPACC:
P21281; B2R5Z3; D3DSQ5; Q14544; Q15859; Q96IR0
Background:
The V-type proton ATPase subunit B, brain isoform, also known as Endomembrane proton pump 58 kDa subunit, HO57, and Vacuolar proton pump subunit B 2, plays a pivotal role in acidifying intracellular compartments. This non-catalytic component of the V1 complex of vacuolar(H+)-ATPase is crucial for maintaining cellular pH balance by hydrolyzing ATP and translocating protons.
Therapeutic significance:
Linked to Zimmermann-Laband syndrome 2 and congenital deafness with onychodystrophy, understanding the V-type proton ATPase subunit B, brain isoform's function could unveil novel therapeutic avenues for these conditions.