Focused On-demand Library for Ankyrin repeat domain-containing protein 17

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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

O75179

UPID:

ANR17_HUMAN

Alternative names:

Gene trap ankyrin repeat protein; Serologically defined breast cancer antigen NY-BR-16

Alternative UPACC:

O75179; E7EUV3; G5E964; Q6PJ85; Q6PK85; Q6PKA2; Q86XI3; Q8NDR5; Q96I86; Q9H288; Q9H6J9

Background:

Ankyrin repeat domain-containing protein 17, also known as Gene trap ankyrin repeat protein and Serologically defined breast cancer antigen NY-BR-16, plays pivotal roles in cell cycle and DNA regulation. It is crucial in innate immune defense against viruses, enhancing DDX58 and IFIH1 signaling pathways, and participates in NOD2- and NOD1-mediated antibacterial responses. Additionally, it is targeted by enterovirus 71, the major cause of hand, foot, and mouth disease, and is essential for blood vessel maintenance in the circulatory system.

Therapeutic significance:

Linked to Chopra-Amiel-Gordon syndrome, characterized by developmental delay and intellectual disability, the protein's understanding could lead to novel therapeutic strategies for this genetic disorder.