Focused On-demand Library for Kinesin-like protein KIF1A

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q12756

UPID:

KIF1A_HUMAN

Alternative names:

Axonal transporter of synaptic vesicles; Microtubule-based motor KIF1A; Unc-104- and KIF1A-related protein

Alternative UPACC:

Q12756; B0I1S5; F5H045; O95068; Q13355; Q14752; Q2NKJ6; Q4LE42; Q53T78; Q59GH1; Q63Z40; Q6P1R9; Q7KZ57

Background:

Kinesin-like protein KIF1A, also known as Axonal transporter of synaptic vesicles and Microtubule-based motor KIF1A, plays a crucial role in anterograde axonal transport of synaptic vesicle precursors. Its interaction with CALM1 enhances vesicle motility, facilitating the transport of neuronal dense core vesicles to dendritic spines and axons.

Therapeutic significance:

KIF1A is implicated in several neurodegenerative disorders, including Spastic paraplegia 30, Neuropathy, hereditary sensory, 2C, and NESCAV syndrome. These associations highlight its potential as a target for therapeutic intervention in conditions characterized by progressive weakness, spasticity, and cognitive dysfunction.