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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q5VW32
UPID:
BROX_HUMAN
Alternative names:
BRO1 domain- and CAAX motif-containing protein
Alternative UPACC:
Q5VW32; B7Z9G5; Q96MG1
Background:
The BRO1 domain-containing protein BROX, also known as BRO1 domain- and CAAX motif-containing protein, plays a crucial role in cellular integrity. It is instrumental in the repair of nuclear envelope ruptures during interphase (NERDI), a process vital for maintaining the stability of the cell's nucleus. BROX is specifically recruited by CHMP5 and acts on SYN2 to alleviate cytoskeletal stress, facilitating the resealing of the nuclear envelope.
Therapeutic significance:
Understanding the role of BRO1 domain-containing protein BROX could open doors to potential therapeutic strategies. Its involvement in maintaining nuclear envelope integrity suggests its potential in targeting diseases where cellular stability is compromised.