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
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 stands out due to several important features:
partner
Reaxense
upacc
Q9H0H5
UPID:
RGAP1_HUMAN
Alternative names:
Male germ cell RacGap; Protein CYK4 homolog
Alternative UPACC:
Q9H0H5; Q6PJ26; Q9NWN2; Q9P250; Q9P2W2
Background:
Rac GTPase-activating protein 1, also known as Male germ cell RacGap and Protein CYK4 homolog, plays a pivotal role in cell cycle cytokinesis, erythropoiesis, and the regulation of cell growth and differentiation. It is a key component of the centralspindlin complex, essential for myosin contractile ring formation and proper attachment of the midbody during cytokinesis. Its GAP activity towards CDC42 and RAC1, and to a lesser extent RHOA, underscores its significance in various cellular processes.
Therapeutic significance:
The involvement of Rac GTPase-activating protein 1 in congenital dyserythropoietic anemia, 3B, autosomal recessive, highlights its therapeutic potential. Understanding the role of this protein could open doors to novel therapeutic strategies targeting blood disorders and possibly other conditions related to its function in cell division and differentiation.