Focused On-demand Library for Protein XRP2

Focused On-demand Libraries - Reaxense 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 our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

O75695

UPID:

XRP2_HUMAN

Alternative names:

Alternative UPACC:

O75695; Q86XJ7; Q9NU67

Background:

Protein XRP2 functions as a GTPase-activating protein (GAP), playing a crucial role in trafficking between the Golgi and the ciliary membrane. It is pivotal in localizing proteins such as NPHP3 to the cilium membrane by inducing GTP ARL3 hydrolysis, leading to UNC119 release. Additionally, it acts as a GAP for tubulin alongside tubulin-specific chaperone C, although it does not promote tubulin heterodimerization. It also serves as a guanine nucleotide dissociation inhibitor towards ADP-ribosylation factor-like proteins.

Therapeutic significance:

Protein XRP2 is directly implicated in Retinitis pigmentosa 2, a retinal dystrophy characterized by loss of rod photoreceptor cells followed by cone photoreceptors, leading to progressive vision loss. Understanding the role of Protein XRP2 could open doors to potential therapeutic strategies for this debilitating condition.