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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O94903
UPID:
PLPHP_HUMAN
Alternative names:
Proline synthase co-transcribed bacterial homolog protein; Pyridoxal phosphate-binding protein
Alternative UPACC:
O94903; Q6FI94
Background:
The Pyridoxal phosphate homeostasis protein, also known as Proline synthase co-transcribed bacterial homolog protein or Pyridoxal phosphate-binding protein, plays a crucial role in the intracellular regulation of pyridoxal 5'-phosphate (PLP). PLP is the active form of vitamin B6, essential for numerous enzymatic processes.
Therapeutic significance:
This protein is directly linked to Epilepsy, early-onset, vitamin B6-dependent, a neurologic disorder characterized by seizures that respond to vitamin B6 treatment. Understanding the protein's function could lead to novel therapeutic strategies for managing this condition.