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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9NYP9
UPID:
MS18A_HUMAN
Alternative names:
FAPP1-associated protein 1
Alternative UPACC:
Q9NYP9; B2R562; Q542Z0
Background:
Protein Mis18-alpha, also known as FAPP1-associated protein 1, plays a crucial role in the recruitment of CENPA to centromeres, ensuring normal chromosome segregation during mitosis. This process is vital for accurate cell division and genomic stability.
Therapeutic significance:
Understanding the role of Protein Mis18-alpha could open doors to potential therapeutic strategies. Its pivotal function in chromosome segregation highlights its importance in maintaining cellular integrity and presents a novel target for drug discovery.