Focused On-demand Library for DDRGK domain-containing protein 1

Focused On-demand Libraries - Receptor.AI 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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 screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q96HY6

UPID:
DDRGK_HUMAN

ALTERNATIVE NAMES:
Dashurin; UFM1-binding and PCI domain-containing protein 1

ALTERNATIVE UPACC:
Q96HY6; A6NIU5; C9JSZ5; Q9BW47

BACKGROUND:
The DDRGK domain-containing protein 1, known alternatively as Dashurin, is integral to the ufmylation pathway, crucial for reticulophagy and the unfolded protein response under endoplasmic reticulum stress. It aids in the recruitment of UFL1 to the ER membrane, facilitating the ufmylation of specific proteins, which is vital for processes such as hematopoiesis and the inflammatory response. Additionally, it plays roles in NF-kappa-B-mediated transcription, highlighting its multifunctionality in cellular regulation.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Spondyloepimetaphyseal dysplasia, Shohat type, DDRGK domain-containing protein 1 represents a promising target for therapeutic intervention. Exploring its function further could unveil new pathways for treating skeletal dysplasias and potentially other diseases linked to the ufmylation process.

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