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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BQ69
UPID:
MACD1_HUMAN
Alternative names:
MACRO domain-containing protein 1; O-acetyl-ADP-ribose deacetylase MACROD1; Protein LRP16; [Protein ADP-ribosylaspartate] hydrolase MACROD1; [Protein ADP-ribosylglutamate] hydrolase MACROD1
Alternative UPACC:
Q9BQ69; Q9UH96
Background:
ADP-ribose glycohydrolase MACROD1, also known as O-acetyl-ADP-ribose deacetylase MACROD1 or Protein LRP16, plays a crucial role in cellular processes by removing ADP-ribose from specific amino acids in proteins and deacetylating O-acetyl-ADP ribose. This protein is involved in estrogen signaling, enhances androgen receptor function, and may influence hormone-dependent cancer progression through a feed-forward mechanism that activates ESR1 transactivation. It also participates in invasive growth regulation by modulating CDH1 expression in endometrial cancer cells.
Therapeutic significance:
Understanding the role of ADP-ribose glycohydrolase MACROD1 could open doors to potential therapeutic strategies, especially in the context of hormone-dependent cancers and invasive growth regulation.