Focused On-demand Library for Guanine nucleotide-binding protein G(i) subunit alpha-1

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop 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

P63096

UPID:

GNAI1_HUMAN

Alternative names:

Adenylate cyclase-inhibiting G alpha protein

Alternative UPACC:

P63096; A8KA88; B4E2V1; C9J3A4; P04898; P11015; P31871; Q5U074; Q8TAN5; Q9UGA4

Background:

The Guanine nucleotide-binding protein G(i) subunit alpha-1, also known as Adenylate cyclase-inhibiting G alpha protein, plays a pivotal role in cellular signaling. It functions as a transducer downstream of G protein-coupled receptors, modulating various signaling cascades. This protein alternates between an active GTP-bound state and an inactive GDP-bound state, influencing intracellular cAMP levels and affecting processes like cytokinesis and cortical dynein-dynactin complex recruitment during mitosis.

Therapeutic significance:

Linked to the neurodevelopmental disorder with hypotonia, impaired speech, and behavioral abnormalities, understanding the role of Guanine nucleotide-binding protein G(i) subunit alpha-1 could open doors to potential therapeutic strategies.