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
O94905
UPID:
ERLN2_HUMAN
Alternative names:
Endoplasmic reticulum lipid raft-associated protein 2; Stomatin-prohibitin-flotillin-HflC/K domain-containing protein 2
Alternative UPACC:
O94905; A0JLQ1; A8K5S9; B4DM38; D3DSW0; Q6NW21; Q86VS6; Q86W49
Background:
Erlin-2, also known as Endoplasmic reticulum lipid raft-associated protein 2, plays a crucial role in the endoplasmic reticulum-associated degradation (ERAD) of inositol 1,4,5-trisphosphate receptors and the regulation of cellular cholesterol homeostasis. It is a component of the ERLIN1/ERLIN2 complex, influencing the SREBP signaling pathway and potentially the ER retention of the SCAP-SREBF complex.
Therapeutic significance:
Erlin-2's involvement in Spastic paraplegia 18, a neurodegenerative disorder, underscores its therapeutic significance. Understanding the role of Erlin-2 could open doors to potential therapeutic strategies for treating this severe form of spastic paraplegia and related psychomotor retardation.