Focused On-demand Library for Ras-related C3 botulinum toxin substrate 2

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 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.

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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P15153

UPID:

RAC2_HUMAN

Alternative names:

GX; Small G protein; p21-Rac2

Alternative UPACC:

P15153; Q9UDJ4

Background:

Ras-related C3 botulinum toxin substrate 2 (Rac2), also known as GX or Small G protein, plays a pivotal role in cellular processes by cycling between active GTP-bound and inactive GDP-bound states. It influences a variety of cellular responses, including secretory processes, phagocytosis of apoptotic cells, and epithelial cell polarization. Moreover, Rac2 is crucial in augmenting the production of reactive oxygen species (ROS) by NADPH oxidase.

Therapeutic significance:

Rac2 is implicated in several immunodeficiencies, such as Immunodeficiency 73A, 73B, and 73C, characterized by defective neutrophil chemotaxis, leukocytosis, lymphopenia, and hypogammaglobulinemia. These disorders highlight the therapeutic potential of targeting Rac2 for novel treatments aimed at improving immune response and neutrophil function.