Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q5T2S8
UPID:
ODAD2_HUMAN
Alternative names:
Armadillo repeat-containing protein 4
Alternative UPACC:
Q5T2S8; A8K906; B7Z7I1; Q9H0C0
Background:
Outer dynein arm-docking complex subunit 2, also known as Armadillo repeat-containing protein 4, plays a crucial role in the assembly of outer dynein arms onto ciliary microtubules. This process is vital for the proper function of motile cilia, which are essential for fluid movement across cell surfaces.
Therapeutic significance:
Mutations in this protein lead to primary ciliary dyskinesia, a condition marked by chronic respiratory infections and potential situs inversus. Understanding the role of Outer dynein arm-docking complex subunit 2 could open doors to potential therapeutic strategies for this genetic disorder.