Focused On-demand Library for Nck-associated protein 1-like

Focused On-demand Libraries - Receptor.AI Collaboration


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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening 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:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P55160

UPID:
NCKPL_HUMAN

ALTERNATIVE NAMES:
Hematopoietic protein 1; Membrane-associated protein HEM-1

ALTERNATIVE UPACC:
P55160; B4DUT5; Q52LW0

BACKGROUND:
The Nck-associated protein 1-like, known alternatively as Hematopoietic protein 1, is essential for the hematopoietic-specific regulation of the actin cytoskeleton. It supports erythrocyte membrane stability and is integral to lymphocyte and neutrophil functions. Acting within the WAVE2 complex, it plays a key role in actin polymerization and is vital for T-cell and neutrophil migration.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Immunodeficiency 72 with autoinflammation and lymphoproliferation, targeting Nck-associated protein 1-like offers a promising avenue for developing novel treatments. Its function in immune cell migration and activation underscores its therapeutic potential in managing autoinflammatory and lymphoproliferative disorders.

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