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

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create 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

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.