Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8N5M9
UPID:
JAGN1_HUMAN
Alternative names:
-
Alternative UPACC:
Q8N5M9; Q8NCF6; Q96SW1
Background:
Protein jagunal homolog 1 plays a pivotal role in the endoplasmic reticulum's transmembrane processes, crucial for vesicle-mediated transport. This protein is essential for neutrophil function, influencing their defense capabilities against fungal pathogens and facilitating the granulocyte colony-stimulating factor (GM-CSF) signaling pathway. Its involvement in regulating glycosylation and/or targeting of proteins is vital for neutrophil viability and migration.
Therapeutic significance:
Linked to severe congenital Neutropenia 6, an autosomal recessive disorder, Protein jagunal homolog 1's dysfunction highlights its therapeutic potential. Understanding its role could pave the way for innovative treatments targeting hematopoiesis disorders, enhancing neutrophil function and offering new hope for patients with immune deficiencies.