Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O95678
UPID:
K2C75_HUMAN
Alternative names:
Cytokeratin-75; Keratin-6 hair follicle; Keratin-75; Type II keratin-K6hf; Type-II keratin Kb18
Alternative UPACC:
O95678; B4DQU4; Q9NSA9
Background:
Keratin, type II cytoskeletal 75, known by alternative names such as Cytokeratin-75 and Keratin-75, plays a pivotal role in hair and nail formation. It is an essential component of keratin intermediate filaments in the companion layer of the hair follicle, highlighting its significance in the structural integrity and function of hair.
Therapeutic significance:
Linked to Loose anagen hair syndrome, where anagen hairs are easily pulled from the scalp, Keratin-75's role in hair formation suggests its potential as a target for therapeutic intervention. Understanding the role of Keratin, type II cytoskeletal 75 could open doors to potential therapeutic strategies.