Focused On-demand Library for Peroxiredoxin-like 2A

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

Q9BRX8

UPID:

PXL2A_HUMAN

Alternative names:

Peroxiredoxin-like 2 activated in M-CSF stimulated monocytes; Redox-regulatory protein FAM213A

Alternative UPACC:

Q9BRX8; B2RD81; Q6UW08; Q8N2K3; Q8NBK9; Q96JR0

Background:

Peroxiredoxin-like 2A, also known as Redox-regulatory protein FAM213A, plays a crucial role in the redox regulation of cells. It acts as an antioxidant, inhibiting TNFSF11-induced activation of NFKB1 and JUN, thereby affecting osteoclast differentiation and potentially maintaining bone mass. Additionally, it serves as a negative regulator of macrophage-mediated inflammation by suppressing the production of inflammatory cytokines through the MAPK signaling pathway.

Therapeutic significance:

Understanding the role of Peroxiredoxin-like 2A could open doors to potential therapeutic strategies, particularly in the context of inflammatory diseases and bone disorders. Its ability to regulate redox states and inhibit inflammatory responses highlights its potential as a target for developing treatments aimed at reducing inflammation and preserving bone health.