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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P23025
UPID:
XPA_HUMAN
Alternative names:
Xeroderma pigmentosum group A-complementing protein
Alternative UPACC:
P23025; Q5T1U9; Q6LCW7; Q6LD02
Background:
The DNA repair protein complementing XP-A cells, also known as Xeroderma pigmentosum group A-complementing protein, plays a crucial role in DNA excision repair. It binds to damaged DNA sites with varying affinities, a process essential for maintaining genomic integrity. This protein is pivotal in initiating repair mechanisms, especially after UV-induced damage, highlighting its significance in cellular defense against mutagenesis.
Therapeutic significance:
Given its central role in repairing UV-induced DNA damage, the protein is directly linked to Xeroderma pigmentosum complementation group A, a condition marked by heightened skin cancer risk and neurological abnormalities. Understanding the protein's function could pave the way for innovative treatments for this disorder, emphasizing the importance of targeted therapeutic strategies.