AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Paired box protein Pax-5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

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

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

 Fig. 1. The sreening 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q02548

UPID:

PAX5_HUMAN

Alternative names:

B-cell-specific transcription factor

Alternative UPACC:

Q02548; A3QVP6; A3QVP7; A3QVP8; C0KTF6; C0KTF7; C0KTF8; C0KTF9; C0KTG0; O75933; Q5SFM2; Q6S728; Q6S729; Q6S730; Q6S731; Q6S732

Background:

Paired box protein Pax-5, also known as B-cell-specific transcription factor, is pivotal in the development of B-lymphocytes. It regulates the transition of lymphoid progenitors to the B-cell lineage by repressing inappropriate genes while activating specific ones, thus influencing cell adhesion, migration, and the maturation of B-cells. Additionally, Pax-5 plays a crucial role in maintaining Epstein-Barr virus genome copy number and inhibiting lytic reactivation.

Therapeutic significance:

Given its essential role in B-cell development and its association with acute lymphoblastic leukemia, a common childhood malignancy, Pax-5 presents a promising target for therapeutic intervention. Understanding the role of Paired box protein Pax-5 could open doors to potential therapeutic strategies, especially in the context of leukemia and viral infections.

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