Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
Our high-tech, dedicated method is applied to construct targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q5MNZ6
UPID:
WIPI3_HUMAN
Alternative names:
WD repeat-containing protein 45-like; WD repeat-containing protein 45B; WIPI49-like protein
Alternative UPACC:
Q5MNZ6; A0A024R8U4; A0A218N098; O95328; Q2MCP6; Q6IBN2
Background:
WD repeat domain phosphoinositide-interacting protein 3, also known as WD repeat-containing protein 45-like, plays a crucial role in autophagy, a vital cellular degradation process. It binds to specific phosphoinositides, aiding in the formation of autophagosomes, which are then transported to lysosomes for degradation. This protein's activity is essential for maintaining cellular homeostasis and responding to cellular stress, such as starvation.
Therapeutic significance:
The protein is linked to a neurodevelopmental disorder characterized by spastic quadriplegia, epilepsy, and brain abnormalities. Understanding its role could pave the way for innovative treatments targeting the underlying mechanisms of this disorder and potentially other autophagy-related diseases.