Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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 top-notch dedicated system is used to design specialised 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
Q13426
UPID:
XRCC4_HUMAN
Alternative names:
X-ray repair cross-complementing protein 4
Alternative UPACC:
Q13426; A8K3X4; Q9BS72; Q9UP94
Background:
DNA repair protein XRCC4 plays a pivotal role in the DNA non-homologous end joining (NHEJ) process, essential for double-strand break repair and V(D)J recombination. It acts as a scaffold, facilitating the recruitment of other proteins to DNA breaks and forming complexes that bridge broken DNA strands. XRCC4's interaction with LIG4 is crucial for the ligation step of DNA repair, enhancing LIG4's activity and stability.
Therapeutic significance:
Understanding the role of DNA repair protein XRCC4 could open doors to potential therapeutic strategies for diseases like short stature, microcephaly, and endocrine dysfunction, where it has been implicated.