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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P00738
UPID:
HPT_HUMAN
Alternative names:
Zonulin
Alternative UPACC:
P00738; B0AZL5; P00737; Q0VAC4; Q0VAC5; Q2PP15; Q3B7J0; Q6LBY9; Q9UC67
Background:
Haptoglobin, also known as Zonulin, plays a crucial role in the body's response to hemolysis by binding to free plasma hemoglobin, facilitating its clearance and preventing kidney damage. It acts as an antioxidant, possesses antibacterial activity, and modulates the acute phase response. Additionally, its uncleaved form, allele alpha-2 (2-2), regulates intestinal permeability and the balance between tolerance and immunity to non-self antigens.
Therapeutic significance:
Anhaptoglobinemia, a condition marked by haptoglobin deficiency, underscores the protein's clinical importance. This deficiency can lead to anaphylactic non-hemolytic transfusion reactions, highlighting the therapeutic potential in understanding and manipulating haptoglobin's function for preventing or treating related adverse reactions.