Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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 employ our advanced, specialised process to create targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q2VIQ3
UPID:
KIF4B_HUMAN
Alternative names:
Chromokinesin-B
Alternative UPACC:
Q2VIQ3
Background:
Chromosome-associated kinesin KIF4B, also known as Chromokinesin-B, plays a pivotal role in chromosome segregation during mitosis. It binds iron-sulfur (Fe-S) clusters and translocates PRC1 to spindle microtubules' plus ends during the metaphase to anaphase transition. This action is crucial for organizing the central spindle midzone and midbody, ensuring successful cytokinesis. KIF4B is also implicated in mitotic chromosomal positioning and bipolar spindle stabilization.
Therapeutic significance:
Understanding the role of Chromosome-associated kinesin KIF4B could open doors to potential therapeutic strategies. Its involvement in critical phases of cell division highlights its potential as a target in cancer therapy, where regulation of mitosis is often disrupted.