Focused On-demand Library for Allograft inflammatory factor 1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P55008

UPID:
AIF1_HUMAN

ALTERNATIVE NAMES:
Ionized calcium-binding adapter molecule 1; Protein G1

ALTERNATIVE UPACC:
P55008; A8K406; O43904; Q9UIV4; Q9UKS9

BACKGROUND:
The protein Allograft inflammatory factor 1, with alternative names Ionized calcium-binding adapter molecule 1 and Protein G1, is integral to enhancing membrane dynamics and cellular signaling through its actin-binding capability. It facilitates RAC activation, influences the actin-bundling activity of LCP1, and binds calcium, playing a significant role in processes such as RAC signaling, phagocytosis, and macrophage function. Additionally, it promotes vascular smooth muscle cells and T-lymphocytes proliferation, aids in lymphocyte migration, and is involved in vascular inflammation.

THERAPEUTIC SIGNIFICANCE:
The exploration of Allograft inflammatory factor 1's functions offers a promising avenue for the development of novel therapeutic approaches. Given its central role in cell signaling, proliferation, and immune response, targeting this protein could lead to innovative treatments for conditions involving immune system dysregulation and inflammatory responses.

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