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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P16444
UPID:
DPEP1_HUMAN
Alternative names:
Beta-lactamase; Dehydropeptidase-I; Microsomal dipeptidase; Renal dipeptidase
Alternative UPACC:
P16444; D3DX80; Q96AK2
Background:
Dipeptidase 1, also known as Dehydropeptidase-I, Beta-lactamase, Microsomal dipeptidase, and Renal dipeptidase, is a versatile enzyme with a broad substrate range. It plays a crucial role in metabolizing dipeptides, including the conversion of leukotriene D4 to leukotriene E4, and in the degradation of glutathione. Additionally, it exhibits beta-lactamase activity, enabling it to hydrolyze beta-lactam antibiotics like imipenem. Beyond its enzymatic functions, Dipeptidase 1 serves as an adhesion receptor, facilitating neutrophil recruitment into inflamed lungs and liver.
Therapeutic significance:
Understanding the role of Dipeptidase 1 could open doors to potential therapeutic strategies. Its involvement in neutrophil recruitment and antibiotic degradation highlights its significance in immune response and antibiotic resistance, respectively, offering avenues for targeted drug development.