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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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


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
Receptor.AI
 
UPACC
P20591

UPID:
MX1_HUMAN

ALTERNATIVE NAMES:
Interferon-induced protein p78; Interferon-regulated resistance GTP-binding protein MxA; Myxoma resistance protein 1; Myxovirus resistance protein 1

ALTERNATIVE UPACC:
P20591; B2RDA5; B3KU10; C9IYV7; C9J8D6; C9JN19; C9JN88; C9JUL1; C9JZS6; D3DSI8; Q86YP5; Q96CI3

BACKGROUND:
Interferon-induced protein p78, known for its antiviral activity, targets a wide array of viruses by disrupting their replication mechanisms. This protein, also referred to as Myxoma resistance protein 1, inhibits virus replication through various strategies, including the sequestration of viral nucleoprotein and blocking the endocytic traffic of incoming virus particles. Its ability to enhance ER stress-mediated cell death post-infection underscores its multifaceted role in viral defense.

THERAPEUTIC SIGNIFICANCE:
The exploration of Interferon-induced protein p78's mechanisms offers a promising avenue for the development of antiviral therapies. By leveraging its unique antiviral properties, researchers can pioneer targeted treatments that could significantly reduce the burden of viral diseases globally.

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