AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for GTP-binding protein Rit1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Q92963

UPID:

RIT1_HUMAN

Alternative names:

Ras-like protein expressed in many tissues; Ras-like without CAAX protein 1

Alternative UPACC:

Q92963; B4DQE8; O00646; O00720; Q5VY89; Q5VY90

Background:

GTP-binding protein Rit1, also known as Ras-like protein expressed in many tissues and Ras-like without CAAX protein 1, plays a pivotal role in cellular processes. It is instrumental in linking NGF stimulation to the activation of EPHB2 and MAPK14 signaling pathways, crucial for NGF-dependent neuronal differentiation and ELK1 transactivation via the Ras-MAPK signaling cascade.

Therapeutic significance:

Rit1's involvement in Noonan syndrome 8, characterized by congenital heart defects, hypertrophic cardiomyopathy, and a spectrum of other developmental anomalies, underscores its potential as a therapeutic target. Understanding Rit1's role could pave the way for innovative treatments for Noonan syndrome and related disorders.

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