Focused On-demand Library for HCLS1-associated protein X-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.