Focused On-demand Library for Chromosome-associated kinesin KIF4A

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.