AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Kinesin heavy chain isoform 5C

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O60282

UPID:

KIF5C_HUMAN

Alternative names:

Kinesin heavy chain neuron-specific 2; Kinesin-1

Alternative UPACC:

O60282; O95079; Q2YDC5

Background:

Kinesin heavy chain isoform 5C, also known as Kinesin heavy chain neuron-specific 2 or Kinesin-1, is a microtubule-associated protein crucial for organelle transport. It exhibits ATPase activity and is pivotal in synaptic transmission and dendritic mRNA trafficking. This protein is essential for the anterograde axonal transportation of MAPK8IP3/JIP3, facilitating axon elongation.

Therapeutic significance:

Kinesin heavy chain isoform 5C is linked to Cortical dysplasia, complex, with other brain malformations 2, a disorder characterized by abnormal neuronal migration and axonal guidance. Understanding the role of this protein could unveil new therapeutic strategies for treating such complex cortical dysplasias.

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