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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
Our high-tech, dedicated method is applied to construct 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
Q04695
UPID:
K1C17_HUMAN
Alternative names:
39.1; Cytokeratin-17; Keratin-17
Alternative UPACC:
Q04695; A5Z1M9; A5Z1N0; A5Z1N1; A5Z1N2; A6NDV6; A6NKQ2; Q6IP98; Q8N1P6
Background:
Keratin, type I cytoskeletal 17 (Keratin-17), plays a pivotal role in skin appendages' formation, hair follicle growth, and epithelial cell proliferation. It acts as a regulator of immune response in skin, contributing to basaloid skin tumor development and potentially in the immunopathogenesis of psoriasis.
Therapeutic significance:
Keratin-17's involvement in Pachyonychia congenita 2 and Steatocystoma multiplex, through gene variants, highlights its potential as a target for therapeutic strategies aimed at ectodermal dysplasias and skin cysts.