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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O95163
UPID:
ELP1_HUMAN
Alternative names:
IkappaB kinase complex-associated protein; p150
Alternative UPACC:
O95163; Q5JSV2; Q9H327; Q9UG87
Background:
Elongator complex protein 1 (ELP1), also known as IkappaB kinase complex-associated protein or p150, plays a crucial role in the modification of tRNAs, essential for protein synthesis. It is involved in the formation of carboxymethyluridine in tRNA's wobble base, influencing neuron migration and branching in the cerebral cortex.
Therapeutic significance:
ELP1's mutation is linked to hereditary sensory and autonomic neuropathy 3, characterized by sensory and autonomic abnormalities, and to medulloblastoma, a pediatric brain tumor. Understanding ELP1's role could lead to novel treatments for these conditions.