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 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 screening 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 stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q9H9Y4

UPID:
GPN2_HUMAN

ALTERNATIVE NAMES:
ATP-binding domain 1 family member B

ALTERNATIVE UPACC:
Q9H9Y4; Q96HG4; Q9NUE1; Q9NW30

BACKGROUND:
The protein GPN-loop GTPase 2, alternatively known as ATP-binding domain 1 family member B, is essential for the correct positioning of RNA polymerase II and III within the cell. This positioning is critical for the transcription process, where DNA is converted into RNA, laying the groundwork for protein synthesis. GPN-loop GTPase 2's involvement in an early step of RNA polymerase assembly before it enters the nucleus signifies its key role in controlling gene expression.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of GPN-loop GTPase 2 offers a promising avenue for developing new therapeutic approaches. Given its critical role in gene expression and cellular function, targeting this protein could provide novel treatments for conditions associated with aberrant gene expression.

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