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.
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.
Our high-tech, dedicated method is applied to construct 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P11474
UPID:
ERR1_HUMAN
Alternative names:
Estrogen receptor-like 1; Estrogen-related receptor alpha; Nuclear receptor subfamily 3 group B member 1
Alternative UPACC:
P11474; Q14514
Background:
Steroid hormone receptor ERR1, also known as Estrogen-related receptor alpha, plays a pivotal role in energy metabolism. It binds to specific DNA sequences, regulating genes involved in energy homeostasis. This protein's interaction with PGC-1A enhances its activity, highlighting its importance in metabolic processes. ERR1's ability to regulate the expression of genes like PERM1 in skeletal muscle underscores its role in maintaining energy balance.
Therapeutic significance:
Understanding the role of Steroid hormone receptor ERR1 could open doors to potential therapeutic strategies. Its central role in energy metabolism makes it a promising target for addressing metabolic disorders.