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 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.
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 stands out due to several important features:
partner
Reaxense
upacc
P22234
UPID:
PUR6_HUMAN
Alternative names:
-
Alternative UPACC:
P22234; E9PDH9; Q68CQ5
Background:
The Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase, encoded by the gene with accession number P22234, plays a crucial role in the de novo purine biosynthetic pathway. This enzyme catalyzes two pivotal reactions, facilitating the synthesis of purine nucleotides essential for DNA and RNA.
Therapeutic significance:
Linked to Phosphoribosylaminoimidazole carboxylase deficiency, a rare metabolic disorder characterized by congenital anomalies and early neonatal death, this protein's study is vital. Understanding its function could lead to groundbreaking therapeutic strategies for treating this severe condition.