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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 utilise our cutting-edge, exclusive workflow to develop 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q14678
UPID:
KANK1_HUMAN
Alternative names:
Ankyrin repeat domain-containing protein 15; Kidney ankyrin repeat-containing protein
Alternative UPACC:
Q14678; A2A2W8; D3DRH3; Q5W0W0; Q8IY65; Q8WX74
Background:
KN motif and ankyrin repeat domain-containing protein 1, also known as Ankyrin repeat domain-containing protein 15, plays a crucial role in cytoskeleton formation by regulating actin polymerization. It inhibits actin fiber formation, cell migration, and RhoA activity, impacting cell polarity and movement in wound healing. Additionally, it functions in the nucleus to activate transcription via beta-catenin and is considered a potential tumor suppressor for renal cell carcinoma.
Therapeutic significance:
Given its involvement in cerebral palsy, spastic quadriplegic 2, understanding the role of KN motif and ankyrin repeat domain-containing protein 1 could open doors to potential therapeutic strategies for this non-progressive disorder, highlighting its importance in neurodevelopmental disease research.