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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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
Q9Y3E2
UPID:
BOLA1_HUMAN
Alternative names:
hBolA
Alternative UPACC:
Q9Y3E2; B2R7K2; D3DUZ4; Q5QNY0
Background:
BolA-like protein 1, also known as hBolA, plays a crucial role in mitochondrial function by acting as an iron-sulfur (Fe-S) cluster assembly factor. This protein is essential for the insertion of Fe-S clusters into a subset of mitochondrial proteins, likely in collaboration with the monothiol glutaredoxin GLRX5. Additionally, it may offer protection against oxidative stress, highlighting its importance in cellular defense mechanisms.
Therapeutic significance:
Understanding the role of BolA-like protein 1 could open doors to potential therapeutic strategies. Its involvement in mitochondrial function and protection against oxidative stress makes it a promising target for addressing mitochondrial disorders and diseases related to oxidative damage.