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.
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
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 stands out due to several important features:
partner
Reaxense
upacc
Q9NP72
UPID:
RAB18_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NP72; B3KMC7; B7Z333; D3DRW1; Q53FX8; Q56UN9; Q6FIH1
Background:
Ras-related protein Rab-18 plays a pivotal role in intracellular membrane trafficking, influencing the formation, movement, and fusion of transport vesicles. It is essential for the localization of ZFYVE1 to lipid droplets, facilitating endoplasmic reticulum-lipid droplet contacts, and is crucial for maintaining endoplasmic reticulum structure. Additionally, Rab-18 is involved in apical endocytosis/recycling and is key to eye and brain development and neurodegeneration.
Therapeutic significance:
Rab-18's involvement in Warburg Micro Syndrome 3, a rare genetic disorder characterized by severe developmental anomalies, underscores its therapeutic significance. Understanding Rab-18's function could lead to novel therapeutic strategies for this syndrome and potentially other neurodevelopmental disorders.