Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H2C0
UPID:
GAN_HUMAN
Alternative names:
Kelch-like protein 16
Alternative UPACC:
Q9H2C0
Background:
Gigaxonin, also known as Kelch-like protein 16, plays a crucial role in neurofilament architecture. It is a probable cytoskeletal component that influences the ubiquitination and proteasomal degradation of target proteins, including TBCB, MAP1B, and MAP1S. This process is vital for neuronal maintenance and survival.
Therapeutic significance:
Gigaxonin's mutation is linked to Giant axonal neuropathy 1, an autosomal recessive disorder characterized by sensorimotor neuropathy. Understanding Gigaxonin's function could lead to novel therapeutic strategies for this debilitating disease.