Focused On-demand Library for Membrane-associated phosphatidylinositol transfer protein 3

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.

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.

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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9BZ71

UPID:

PITM3_HUMAN

Alternative names:

Phosphatidylinositol transfer protein, membrane-associated 3; Pyk2 N-terminal domain-interacting receptor 1

Alternative UPACC:

Q9BZ71; A1A5D0; F8WEW5; Q59GH9; Q9NPQ4

Background:

Membrane-associated phosphatidylinositol transfer protein 3, also known as Phosphatidylinositol transfer protein, membrane-associated 3 or Pyk2 N-terminal domain-interacting receptor 1, plays a crucial role in cellular processes by catalyzing the transfer of phosphatidylinositol and phosphatidylcholine between membranes. Its ability to bind calcium ions further underscores its significance in cellular signaling and homeostasis.

Therapeutic significance:

Linked to Cone-rod dystrophy 5, a severe inherited retinal dystrophy, understanding the role of Membrane-associated phosphatidylinositol transfer protein 3 could open doors to potential therapeutic strategies. This disease highlights the protein's critical role in visual acuity and sensitivity, emphasizing the need for targeted research into its functions and disease associations.