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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 employ our advanced, specialised process to create 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
Q9UJ98
UPID:
STAG3_HUMAN
Alternative names:
SCC3 homolog 3; Stromal antigen 3; Stromalin-3
Alternative UPACC:
Q9UJ98; A6H8Z1; B4DZ10; D6W5U8; H7BYK9; Q8NDP3
Background:
Cohesin subunit SA-3, also known as Stromal antigen 3 or Stromalin-3, plays a pivotal role in meiosis, a process critical for sexual reproduction. This protein is a part of the cohesin complex, essential for the cohesion of sister chromatids after DNA replication, ensuring accurate chromosome segregation.
Therapeutic significance:
Mutations in Cohesin subunit SA-3 have been linked to Premature ovarian failure 8 and Spermatogenic failure 61, highlighting its crucial role in human fertility. Understanding the role of Cohesin subunit SA-3 could open doors to potential therapeutic strategies for these reproductive disorders.