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 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 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.
Our library stands out due to several important features:
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.