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. 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
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9Y244
UPID:
POMP_HUMAN
Alternative names:
Proteassemblin; Protein UMP1 homolog; Voltage-gated K channel beta subunit 4.1
Alternative UPACC:
Q9Y244; A5HKJ2; D6MXU3; Q9HB69
Background:
The Proteasome maturation protein, also known as Proteassemblin, Protein UMP1 homolog, and Voltage-gated K channel beta subunit 4.1, plays a pivotal role in cellular function. It acts as a molecular chaperone essential for the assembly of standard proteasomes and immunoproteasomes, facilitating the association of 20S preproteasome with the endoplasmic reticulum. This protein is degraded after proteasome maturation is complete.
Therapeutic significance:
Linked to diseases such as Keratosis linearis with ichthyosis congenita and sclerosing keratoderma, and Proteasome-associated autoinflammatory syndrome 2, the Proteasome maturation protein's involvement in these conditions underscores its potential as a target for therapeutic intervention. Understanding its role could lead to novel treatments for these debilitating diseases.