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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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
Q96N67
UPID:
DOCK7_HUMAN
Alternative names:
-
Alternative UPACC:
Q96N67; Q00M63; Q2PPY7; Q45RE8; Q45RE9; Q5T1B9; Q5T1C0; Q6ZV32; Q8TB82; Q96NG6; Q96NI0; Q9C092
Background:
Dedicator of cytokinesis protein 7 (DOCK7) is a pivotal guanine nucleotide exchange factor (GEF) that activates Rac1 and Rac3 Rho small GTPases, facilitating GDP-GTP exchange. It plays a crucial role in axon formation, neuronal polarization, and cortical neurogenesis by regulating radial glial cell dynamics and septin-actin cytoskeleton interactions. DOCK7's involvement in pigmentation and its regulatory impact on microtubule growth highlight its multifaceted biological functions.
Therapeutic significance:
The association of DOCK7 with Developmental and epileptic encephalopathy 23, a condition marked by severe epilepsy, intellectual disability, and cortical blindness, underscores its therapeutic potential. Targeting DOCK7 could lead to innovative treatments for this debilitating disease, emphasizing the importance of understanding its biological mechanisms.