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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 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
Q7Z4Q2
UPID:
HEAT3_HUMAN
Alternative names:
-
Alternative UPACC:
Q7Z4Q2; A8K1N4; Q8N525; Q8WV56; Q96CC9; Q9NWN7
Background:
HEAT repeat-containing protein 3 is pivotal in ribosome biogenesis and the nuclear import of the 60S ribosomal protein L5/large ribosomal subunit protein uL18 (RPL5), as evidenced by research. Its crucial role ensures proper erythrocyte maturation, highlighting its significance in cellular processes.
Therapeutic significance:
Linked to Diamond-Blackfan anemia 21, a condition marked by bone marrow failure and various congenital anomalies, HEAT repeat-containing protein 3's dysfunction underscores its potential as a therapeutic target. Understanding its role could open doors to novel treatments for this debilitating disease.