Focused On-demand Library for Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 2

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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 top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q99490

UPID:
AGAP2_HUMAN

ALTERNATIVE NAMES:
Centaurin-gamma-1; GTP-binding and GTPase-activating protein 2; Phosphatidylinositol 3-kinase enhancer

ALTERNATIVE UPACC:
Q99490; A8K9F7; O00578; Q548E0; Q8IWU3

BACKGROUND:
The protein known as Phosphatidylinositol 3-kinase enhancer, or Centaurin-gamma-1, exhibits strong GTPase activity and is essential in cellular signaling pathways. It prevents neuronal apoptosis through PI3 kinase activity enhancement and interacts with Homer scaffolding proteins. Additionally, it plays a role in anti-apoptotic mechanisms via NGF and nuclear PI3 kinase activation. Notably, its oncogenic potential is highlighted by its overexpression in cancer cells, where it prevents apoptosis and promotes invasion.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Phosphatidylinositol 3-kinase enhancer could unveil novel therapeutic avenues.

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