Focused On-demand Library for N-chimaerin

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.

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 use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

Reaxense

upacc

P15882

UPID:

CHIN_HUMAN

Alternative names:

A-chimaerin; Alpha-chimerin; N-chimerin; Rho GTPase-activating protein 2

Alternative UPACC:

P15882; A8K1M6; B3KNU6; B4DV19; Q53SD6; Q53SH5; Q96FB0

Background:

N-chimaerin, known by alternative names such as A-chimaerin, Alpha-chimerin, and Rho GTPase-activating protein 2, plays a pivotal role in neuronal development. It acts as a GTPase-activating protein for p21-rac and serves as a phorbol ester receptor. Its involvement in the assembly of neuronal locomotor circuits, particularly as a direct effector of EPHA4 in axon guidance, underscores its critical function in the nervous system.

Therapeutic significance:

N-chimaerin's association with Duane retraction syndrome 2, a congenital eye movement disorder, highlights its clinical relevance. Understanding the role of N-chimaerin could open doors to potential therapeutic strategies for this syndrome, which, if undiagnosed in children, can lead to amblyopia, a permanent uncorrectable loss of vision.