Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 stands out due to several important features:
partner
Reaxense
upacc
P55201
UPID:
BRPF1_HUMAN
Alternative names:
Bromodomain and PHD finger-containing protein 1; Protein Br140
Alternative UPACC:
P55201; B4DEZ6; Q7Z6E0; Q8TCM6; Q9UHI0
Background:
Peregrin, also known as Bromodomain and PHD finger-containing protein 1, plays a pivotal role in chromatin remodeling through its involvement in various histone acetyltransferase (HAT) complexes. These complexes, including MOZ/MORF and HBO1, are crucial for histone H3 acetylation, specifically at 'Lys-14' and 'Lys-23', facilitating transcriptional activation of key genes such as RUNX1 and RUNX2.
Therapeutic significance:
Peregrin's association with Intellectual developmental disorder with dysmorphic facies and ptosis highlights its potential as a therapeutic target. Understanding the role of Peregrin could open doors to potential therapeutic strategies for treating neurodevelopmental disorders.