Focused On-demand Library for Ankyrin repeat and MYND domain-containing protein 1

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.

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

Q9P2S6

UPID:

ANKY1_HUMAN

Alternative names:

Testis-specific ankyrin-like protein 1; Zinc finger MYND domain-containing protein 13

Alternative UPACC:

Q9P2S6; B2RB78; Q4ZFV3; Q8IYX5; Q8NDK5; Q9H0V8; Q9NX10

Background:

Ankyrin repeat and MYND domain-containing protein 1, also known by its alternative names Testis-specific ankyrin-like protein 1 and Zinc finger MYND domain-containing protein 13, plays a crucial role in cellular processes. Its unique structure, characterized by the ankyrin repeat and MYND domain, suggests a specific function in protein-protein interactions, potentially regulating various cellular mechanisms.

Therapeutic significance:

Understanding the role of Ankyrin repeat and MYND domain-containing protein 1 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes makes it a promising target for drug discovery, aiming to modulate its activity for therapeutic benefits.