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.
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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
P31270
UPID:
HXA11_HUMAN
Alternative names:
Homeobox protein Hox-1I
Alternative UPACC:
P31270; A4D190
Background:
Homeobox protein Hox-A11, also known as Homeobox protein Hox-1I, plays a pivotal role in the developmental regulatory system, providing cells with specific positional identities along the anterior-posterior axis. This sequence-specific transcription factor is crucial for the proper development and differentiation of cells in the body.
Therapeutic significance:
The protein is directly associated with Radioulnar synostosis with amegakaryocytic thrombocytopenia 1, a syndrome characterized by bone marrow failure and skeletal defects. Understanding the role of Homeobox protein Hox-A11 could open doors to potential therapeutic strategies for this condition, including targeted gene therapy and stem cell transplantation.