Focused On-demand Library for DCC-interacting protein 13-alpha

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 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 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.

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

Q9UKG1

UPID:

DP13A_HUMAN

Alternative names:

Adapter protein containing PH domain, PTB domain and leucine zipper motif 1

Alternative UPACC:

Q9UKG1; Q9P2B9

Background:

DCC-interacting protein 13-alpha, also known as Adapter protein containing PH domain, PTB domain and leucine zipper motif 1, plays a pivotal role in cell proliferation, immune response, endosomal trafficking, and cell metabolism. It interacts with various proteins and receptors to regulate signaling pathways, including AKT1 for innate immune response and PI3K/Akt for inhibiting phagocytosis in macrophages. Additionally, it is involved in the trafficking of TGFBR1 and regulates adiponectin and insulin signaling.

Therapeutic significance:

Linked to Maturity-onset diabetes of the young 14, a form of diabetes with an autosomal dominant inheritance, DCC-interacting protein 13-alpha's understanding could lead to novel therapeutic strategies for managing this disease.