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.
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
O00165
UPID:
HAX1_HUMAN
Alternative names:
HS1-associating protein X-1; HS1-binding protein 1
Alternative UPACC:
O00165; A8W4W9; A8W4X0; B4DUJ7; Q5VYD5; Q5VYD7; Q96AU4; Q9BS80
Background:
HCLS1-associated protein X-1, also known as HS1-associating protein X-1 or HS1-binding protein 1, plays a pivotal role in cellular processes including actin cytoskeleton reorganization, cell migration, and survival. It interacts with KCNC3 and the Arp2/3 complex, influencing the rate of KCNC3 channel inactivation and promoting GNA13-mediated cell migration. Additionally, it may regulate intracellular calcium pools and inhibit apoptosis by affecting CASP9 and CASP3.
Therapeutic significance:
The protein's involvement in severe congenital neutropenia type 3, an autosomal recessive disorder characterized by hematopoiesis disruption and severe bacterial infections, underscores its therapeutic potential. Understanding the role of HCLS1-associated protein X-1 could open doors to potential therapeutic strategies for treating this condition and possibly other related disorders.