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.
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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9BYV9
UPID:
BACH2_HUMAN
Alternative names:
BTB and CNC homolog 2
Alternative UPACC:
Q9BYV9; E1P518; Q59H70; Q5T793; Q9NTS5
Background:
Transcription regulator protein BACH2, also known as BTB and CNC homolog 2, plays a pivotal role in cellular processes, including transcription regulation, apoptosis in response to oxidative stress, and nuclear import of actin. It binds to Maf recognition elements, coordinating transcription activation and repression by MAFK, and is crucial for adaptive immunity, regulatory T-cell function, and B-cell maturation.
Therapeutic significance:
BACH2's involvement in Immunodeficiency 60 and autoimmunity, a disorder characterized by intestinal inflammation, recurrent infections, and impaired lymphocyte maturation, highlights its potential as a target for therapeutic intervention. Understanding the role of BACH2 could open doors to potential therapeutic strategies.