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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P08218
UPID:
CEL2B_HUMAN
Alternative names:
Elastase-2B
Alternative UPACC:
P08218; Q14D16; Q6ISM5; Q96QV5
Background:
Chymotrypsin-like elastase family member 2B, also known as Elastase-2B, is a crucial enzyme that acts upon elastin, a key protein in the connective tissue. This enzyme's activity is essential for the proper functioning and maintenance of elastic fibers, which provide flexibility and strength to various tissues.
Therapeutic significance:
Understanding the role of Chymotrypsin-like elastase family member 2B could open doors to potential therapeutic strategies. Its involvement in the breakdown and remodeling of elastin suggests a pivotal role in tissue repair and regeneration processes.