Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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
P08582
UPID:
TRFM_HUMAN
Alternative names:
Melanoma-associated antigen p97
Alternative UPACC:
P08582; Q9BQE2
Background:
Melanotransferrin, also known as Melanoma-associated antigen p97, plays a crucial role in iron cellular uptake. It uniquely binds a single atom of iron per subunit, indicating its specificity and importance in iron metabolism. Additionally, it has the capability to bind zinc, suggesting a broader role in metal ion homeostasis.
Therapeutic significance:
Understanding the role of Melanotransferrin could open doors to potential therapeutic strategies. Its involvement in iron and potentially zinc metabolism makes it a candidate for research in disorders related to metal ion dysregulation.