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 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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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
Q53EL6

UPID:
PDCD4_HUMAN

ALTERNATIVE NAMES:
Neoplastic transformation inhibitor protein; Nuclear antigen H731-like; Protein 197/15a

ALTERNATIVE UPACC:
Q53EL6; B2RCV4; B5ME91; O15501; Q5VZS6; Q6PJI5; Q8TAR5; Q99834

BACKGROUND:
The Programmed cell death protein 4, with alternative names such as Neoplastic transformation inhibitor protein, serves as a pivotal inhibitor of translation initiation and cap-dependent translation. It achieves its function by impeding EIF4A1 and EIF4G interaction, suppressing EIF4A's helicase activity, and influencing JUN kinase activation. It also reduces MAP4K1 expression, contributing to its role in apoptosis and tumor suppression, and has RNA-binding capabilities.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Programmed cell death protein 4 holds promise for unveiling novel therapeutic avenues.

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