Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P06899
UPID:
H2B1J_HUMAN
Alternative names:
Histone H2B.1; Histone H2B.r
Alternative UPACC:
P06899; B2R4J4; O60816
Background:
Histone H2B type 1-J, also known as Histone H2B.1 and Histone H2B.r, is a core component of the nucleosome. It plays a pivotal role in wrapping and compacting DNA into chromatin, which is crucial for transcription regulation, DNA repair, replication, and chromosomal stability. The regulation of DNA accessibility is achieved through a sophisticated set of histone modifications, known as the histone code, and nucleosome remodeling.
Therapeutic significance:
Understanding the role of Histone H2B type 1-J could open doors to potential therapeutic strategies. Its broad antibacterial activity and contribution to the antimicrobial barrier of the colonic epithelium highlight its significance in maintaining cellular integrity and defense mechanisms.