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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BV73
UPID:
CP250_HUMAN
Alternative names:
250 kDa centrosomal protein; Centrosomal Nek2-associated protein 1; Centrosomal protein 2
Alternative UPACC:
Q9BV73; E1P5Q3; O14812; O60588; Q9H450
Background:
Centrosome-associated protein CEP250, also known as the 250 kDa centrosomal protein, plays a pivotal role in cell division and ciliogenesis. It is essential for centrosome cohesion during interphase and recruits CCDC102B to centrioles, facilitating correct cell cycle progression.
Therapeutic significance:
CEP250's involvement in Cone-rod dystrophy and hearing loss 2, a disease characterized by progressive vision and hearing loss, highlights its potential as a therapeutic target. Understanding CEP250's function could lead to novel treatments for this autosomal recessive disorder.