Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8NAX2
UPID:
KDF1_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NAX2; Q5QP32; Q8N0S7
Background:
Keratinocyte differentiation factor 1 plays a pivotal role in epidermis formation during early development. It is essential both as an inhibitor of basal cell proliferation and as a promoter of differentiation for basal progenitor cell progeny. This protein's function underscores its importance in the structural and functional integrity of the skin.
Therapeutic significance:
Ectodermal dysplasia 12, a disorder characterized by sparse hair, abnormal teeth, and an inability to sweat, is linked to variants affecting Keratinocyte differentiation factor 1. Understanding the role of this protein could unveil novel therapeutic strategies for managing this condition.