AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Chromosome-associated kinesin KIF4A

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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

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

O95239

UPID:

KIF4A_HUMAN

Alternative names:

Chromokinesin-A

Alternative UPACC:

O95239; B2R7V5; D3DVU4; Q86TN3; Q86XX7; Q9NNY6; Q9NY24; Q9UMW3

Background:

Chromosome-associated kinesin KIF4A, also known as Chromokinesin-A, is a pivotal iron-sulfur (Fe-S) cluster binding motor protein. It plays a crucial role in chromosome segregation during mitosis by translocating PRC1 to the plus ends of spindle microtubules, facilitating organized central spindle midzone and midbody formation, essential for cytokinesis. Its involvement in mitotic chromosomal positioning and bipolar spindle stabilization underscores its significance in cell division.

Therapeutic significance:

The association of KIF4A with Intellectual developmental disorder, X-linked 100, characterized by intellectual disability, epilepsy, microcephaly, and cortical malformations, highlights its potential as a therapeutic target. Understanding the role of Chromosome-associated kinesin KIF4A could open doors to potential therapeutic strategies.

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