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.
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.
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 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O95479
UPID:
G6PE_HUMAN
Alternative names:
-
Alternative UPACC:
O95479; Q4TT33; Q66I35; Q68DT3; R4GMU1
Background:
The GDH/6PGL endoplasmic bifunctional protein plays a pivotal role in the pentose phosphate pathway, catalyzing the first two steps crucial for generating reducing power and metabolic intermediates. This enzyme, with its hexose-6-phosphate dehydrogenase and 6-phosphogluconolactonase activities, supports biosynthetic processes by providing NADPH in the oxidizing environment of the endoplasmic reticulum.
Therapeutic significance:
Cortisone reductase deficiency 1, a disorder of cortisone metabolism leading to hyperandrogenism and infertility, is linked to mutations affecting this protein. Understanding the role of GDH/6PGL endoplasmic bifunctional protein could open doors to potential therapeutic strategies for this and related conditions.