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.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UBP0
UPID:
SPAST_HUMAN
Alternative names:
Spastic paraplegia 4 protein
Alternative UPACC:
Q9UBP0; A7E2A7; Q9UPR9
Background:
Spastin, known for its alternative name Spastic paraplegia 4 protein, plays a pivotal role in cellular dynamics by severing ATP-dependent microtubules. It specifically targets microtubules that are polyglutamylated, facilitating the reorganization of cellular microtubule arrays and contributing to the biogenesis and maintenance of complex microtubule arrays in axons, spindles, and cilia. Spastin's involvement extends to cytokinesis, nuclear envelope reassembly, and membrane traffic regulation.
Therapeutic significance:
Spastin's mutation leads to Spastic paraplegia 4, an autosomal dominant neurodegenerative disorder. Understanding Spastin's function and its pathogenic variants opens doors to developing targeted therapies for this condition, highlighting its therapeutic significance.