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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P0DJD7
UPID:
PEPA4_HUMAN
Alternative names:
Pepsinogen-4
Alternative UPACC:
P0DJD7; A8K749; B7ZW75; P00790; Q7M4R0; Q8N1E3
Background:
Pepsin A-4, also known as Pepsinogen-4, is a proteolytic enzyme exhibiting broad specificity. It is adept at cleaving peptide bonds, with a preference for those involving phenylalanine and leucine, although it can act on a wide range of substrates to varying degrees. This enzyme plays a crucial role in protein digestion, facilitating the breakdown of dietary proteins into absorbable units.
Therapeutic significance:
Understanding the role of Pepsin A-4 could open doors to potential therapeutic strategies. Its broad substrate specificity suggests it may have applications beyond its primary digestive function, possibly in the degradation of aberrant peptides and proteins associated with diseases.