Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q16222
UPID:
UAP1_HUMAN
Alternative names:
Antigen X; Sperm-associated antigen 2
Alternative UPACC:
Q16222; B2R6R8; Q5VTA9; Q5VTB0; Q5VTB1; Q96GM2
Background:
The UDP-N-acetylhexosamine pyrophosphorylase, known alternatively as Antigen X or Sperm-associated antigen 2, plays a crucial role in cellular processes by converting UTP and GlcNAc-1-P into UDP-GlcNAc, and UTP and GalNAc-1-P into UDP-GalNAc. Its isoforms, AGX1 and AGX2, show differing activities towards GalNAc-1-P and GlcNAc-1-P, respectively, indicating a nuanced role in cellular metabolism.
Therapeutic significance:
Understanding the role of UDP-N-acetylhexosamine pyrophosphorylase could open doors to potential therapeutic strategies. Its pivotal function in the synthesis of key cellular components positions it as a target for drug discovery, aiming to modulate its activity in disease contexts.