Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8NI77
UPID:
KI18A_HUMAN
Alternative names:
Marrow stromal KIF18A
Alternative UPACC:
Q8NI77; Q4VPE3; Q86VS5; Q9H0F3
Background:
Kinesin-like protein KIF18A, also known as Marrow stromal KIF18A, is a microtubule-depolymerizing kinesin. It plays a crucial role in chromosome congression by moderating preanaphase oscillations and decelerating poleward movement during anaphase, effectively suppressing excessive chromosome movements. KIF18A is instrumental in stabilizing the CENPE-BUB1B complex at kinetochores in early mitosis and maintaining CENPE levels at kinetochores during chromosome congression.
Therapeutic significance:
Understanding the role of Kinesin-like protein KIF18A could open doors to potential therapeutic strategies.