Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused 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
Q2M1P5
UPID:
KIF7_HUMAN
Alternative names:
-
Alternative UPACC:
Q2M1P5; Q3SXY0; Q6UXE9; Q8IW72
Background:
Kinesin-like protein KIF7 plays a pivotal role in hedgehog signaling, a pathway crucial for cell differentiation, tissue patterning, and organogenesis. This protein acts as both a positive and negative regulator of sonic hedgehog (Shh) and Indian hedgehog (Ihh) pathways, influencing microtubular dynamics and ciliary localization of key signaling complexes. Its involvement extends to the regulation of epidermal differentiation and chondrocyte development, showcasing its multifaceted role in cellular processes.
Therapeutic significance:
KIF7 mutations are linked to a spectrum of genetic disorders, including Bardet-Biedl syndrome, Hydrolethalus syndrome 2, Acrocallosal syndrome, Joubert syndrome 12, and Al-Gazali-Bakalinova syndrome. These conditions manifest through a variety of symptoms, from developmental delays to congenital malformations, highlighting the protein's clinical relevance. Understanding KIF7's role could pave the way for innovative treatments targeting these complex syndromes.