AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for GAS2-like protein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q8NHY3

UPID:

GA2L2_HUMAN

Alternative names:

GAS2-related protein on chromosome 17; Growth arrest-specific protein 2-like 2

Alternative UPACC:

Q8NHY3; Q8NHY4

Background:

GAS2-like protein 2, also known as GAS2-related protein on chromosome 17, plays a crucial role in cellular structure and function. It is involved in the cross-linking of microtubules and microfilaments, regulating microtubule dynamics and stability. This protein enhances ADORA2-mediated adenylyl cyclase activation and is pivotal in regulating ciliary orientation and performance in airway cells.

Therapeutic significance:

GAS2-like protein 2 is linked to Ciliary dyskinesia, primary, 41, a genetic disorder characterized by respiratory infections and abnormalities of motile cilia. Understanding the role of GAS2-like protein 2 could open doors to potential therapeutic strategies for treating this condition.

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