Focused On-demand Library for Kinesin-like protein KIF18A

Focused On-demand Libraries - Receptor.AI 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 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 Reaxense.


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.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening 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 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
Receptor.AI
 
UPACC
Q8NI77

UPID:
KI18A_HUMAN

ALTERNATIVE NAMES:
Marrow stromal KIF18A

ALTERNATIVE UPACC:
Q8NI77; Q4VPE3; Q86VS5; Q9H0F3

BACKGROUND:
The Kinesin-like protein KIF18A, alternatively named Marrow stromal KIF18A, is pivotal in mitotic processes. It functions as a microtubule-depolymerizing agent, crucial for reducing the amplitude of preanaphase oscillations and slowing the poleward movement of chromosomes during anaphase. This action helps in suppressing unnecessary chromosome movements. Additionally, KIF18A plays a key role in stabilizing the CENPE-BUB1B complex at kinetochores and maintaining CENPE levels, which are essential for chromosome congression.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Kinesin-like protein KIF18A could open doors to potential therapeutic strategies.

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