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.
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.
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.
We employ our advanced, specialised process to create targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9H3D4
UPID:
P63_HUMAN
Alternative names:
Chronic ulcerative stomatitis protein; Keratinocyte transcription factor KET; Transformation-related protein 63; Tumor protein p73-like; p40; p51
Alternative UPACC:
Q9H3D4; O75080; O75195; O75922; O76078; Q6VEG2; Q6VEG3; Q6VEG4; Q6VFJ1; Q6VFJ2; Q6VFJ3; Q6VH20; Q7LDI3; Q7LDI4; Q7LDI5; Q96KR0; Q9H3D2; Q9H3D3; Q9H3P8; Q9NPH7; Q9P1B4; Q9P1B5; Q9P1B6; Q9P1B7; Q9UBV9; Q9UE10; Q9UP26; Q9UP27; Q9UP28; Q9UP74
Background:
Tumor protein 63, known by various names such as p63, plays a pivotal role in epithelial development and has been implicated in a range of ectodermal dysplasia syndromes. It functions as a transcriptional activator or repressor, influencing cell cycle regulation and epithelial morphogenesis. The protein's involvement in Notch signaling and limb formation underscores its significance in cellular differentiation and tissue development.
Therapeutic significance:
Given its crucial role in ectodermal dysplasia syndromes such as Acro-dermato-ungual-lacrimal-tooth syndrome and Ankyloblepharon-ectodermal defects-cleft lip/palate, understanding the function of p63 could pave the way for innovative therapeutic approaches. Targeting the pathways regulated by p63 may offer new strategies for treating these complex disorders.