AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for GTP-binding protein GEM

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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

P55040

UPID:

GEM_HUMAN

Alternative names:

GTP-binding mitogen-induced T-cell protein; RAS-like protein KIR

Alternative UPACC:

P55040; B2RA31

Background:

The GTP-binding protein GEM, also known as GTP-binding mitogen-induced T-cell protein or RAS-like protein KIR, plays a crucial role in cellular signaling. It possesses guanine nucleotide-binding activity, indicating its involvement in signal transduction processes at the plasma membrane, despite lacking intrinsic GTPase activity. This suggests a regulatory function, potentially in receptor-mediated pathways.

Therapeutic significance:

Understanding the role of GTP-binding protein GEM could open doors to potential therapeutic strategies. Its involvement in signal transduction pathways highlights its importance in cellular communication and regulation, making it a target of interest for drug discovery efforts aimed at modulating these critical processes.

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