AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DENN domain-containing protein 5A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.

Our high-tech, dedicated method is applied to construct targeted 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

Q6IQ26

UPID:

DEN5A_HUMAN

Alternative names:

Rab6-interacting protein 1

Alternative UPACC:

Q6IQ26; B4DJ15; E9PS91; Q96GN3; Q9H6U7; Q9UFV0; Q9UPR1

Background:

DENN domain-containing protein 5A, also known as Rab6-interacting protein 1, plays a crucial role as a guanine nucleotide exchange factor (GEF). It primarily activates RAB6A and RAB39A/B, facilitating the conversion of GDP-bound Rab proteins into their active GTP-bound form. This protein is instrumental in the negative regulation of neurite outgrowth, highlighting its significance in neuronal development and function.

Therapeutic significance:

The protein is linked to Developmental and epileptic encephalopathy 49 (DEE49), a severe autosomal recessive disorder characterized by neonatal seizures, global developmental delay, intellectual disability, cerebral calcifications, and coarse facial features. Understanding the role of DENN domain-containing protein 5A in DEE49 could pave the way for novel therapeutic strategies targeting this debilitating condition.

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