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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q12840
UPID:
KIF5A_HUMAN
Alternative names:
Kinesin heavy chain neuron-specific 1; Neuronal kinesin heavy chain
Alternative UPACC:
Q12840; A6H8M5; Q4LE26
Background:
Kinesin heavy chain isoform 5A, also known as neuronal kinesin heavy chain, plays a pivotal role in the axonal transport of neurofilament proteins and the vesicular transport of various proteins in neurons. Its interaction with ZFYVE27 is crucial for neurite-like membrane protrusions, highlighting its significance in neuronal structure and function.
Therapeutic significance:
The protein is implicated in several neurodegenerative disorders, including Spastic paraplegia 10, autosomal dominant; Myoclonus, intractable, neonatal; and Amyotrophic lateral sclerosis 25. These associations underscore its potential as a target for therapeutic intervention in these debilitating diseases.