AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Guanine nucleotide-binding protein subunit alpha-11

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

Reaxense

upacc

P29992

UPID:

GNA11_HUMAN

Alternative names:

Guanine nucleotide-binding protein G(y) subunit alpha

Alternative UPACC:

P29992; O15109; Q14350; Q6IB00

Background:

The Guanine nucleotide-binding protein subunit alpha-11, also known as G(y) subunit alpha, plays a pivotal role in transmembrane signaling systems. It activates phospholipase C and transduces signaling in response to long-chain fatty acids, crucial for heart development and various cellular processes.

Therapeutic significance:

Linked to Hypocalciuric hypercalcemia, familial 2, and Hypocalcemia, autosomal dominant 2, this protein's understanding could lead to novel treatments for these mineral homeostasis disorders. Its role in signaling pathways offers a promising avenue for therapeutic intervention.

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