Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


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


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 top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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
Receptor.AI
 
UPACC
P41220

UPID:
RGS2_HUMAN

ALTERNATIVE NAMES:
Cell growth-inhibiting gene 31 protein; G0/G1 switch regulatory protein 8

ALTERNATIVE UPACC:
P41220; Q6I9U5

BACKGROUND:
The Regulator of G-protein signaling 2 (RGS2) is a key modulator of signal transduction, particularly in the context of G protein-coupled receptor (GPCR) pathways. By promoting the inactive GDP-bound form of G protein alpha subunits, RGS2 serves as a critical checkpoint in signal transduction. Its involvement extends to the regulation of blood pressure and vascular smooth muscle function, primarily through its action in GPCR and GNAQ-mediated pathways. RGS2's binding to EIF2B5 further underscores its role in controlling protein synthesis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Regulator of G-protein signaling 2 unveils potential avenues for therapeutic intervention.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.