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 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 high-tech, dedicated method is applied to construct targeted 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
O75531
UPID:
BAF_HUMAN
Alternative names:
Breakpoint cluster region protein 1
Alternative UPACC:
O75531; O60558; Q6FGG7
Background:
Barrier-to-autointegration factor (BAF) is a pivotal protein involved in various cellular processes, including mitotic nuclear reassembly, chromatin organization, and the DNA damage response. It binds non-specifically to double-stranded DNA, facilitating DNA cross-bridging and playing a crucial role in nuclear membrane formation post-mitosis. BAF's interaction with PARP1 under oxidative stress highlights its role in the DNA damage response, while its involvement in innate immunity against foreign DNA underscores its protective functions within the cell.
Therapeutic significance:
Given its involvement in Nestor-Guillermo progeria syndrome, a condition characterized by severe osteoporosis and lipoatrophy, understanding the role of Barrier-to-autointegration factor could open doors to potential therapeutic strategies. Its multifaceted role in biological systems makes it an intriguing subject for scientific inquiry, particularly in the context of disease mechanisms and therapeutic interventions.