Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
We use our state-of-the-art dedicated workflow for designing focused 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
P51690
UPID:
ARSL_HUMAN
Alternative names:
Arylsulfatase E
Alternative UPACC:
P51690; Q53FT2; Q53FU8
Background:
Arylsulfatase L, also known as Arylsulfatase E, plays a pivotal role in bone and cartilage development. It exhibits arylsulfatase activity, crucial for the correct composition of cartilage and bone matrix, yet does not act on steroid sulfates. This specificity underscores its unique function in developmental processes.
Therapeutic significance:
Linked to Chondrodysplasia punctata 1, X-linked recessive (CDPX1), a disorder marked by bone calcification and underdeveloped nasal cartilage, Arylsulfatase L's dysfunction highlights its therapeutic potential. Understanding its role could pave the way for innovative treatments for bone and cartilage development disorders.