Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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
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
Q13867
UPID:
BLMH_HUMAN
Alternative names:
-
Alternative UPACC:
Q13867; B2R796; Q53F86; Q9UER9
Background:
Bleomycin hydrolase, encoded by the gene with accession number Q13867, plays a crucial role in cellular defense mechanisms. It specifically catalyzes the inactivation of the antitumor drug bleomycin (BLM), a glycopeptide, by hydrolyzing the carboxamide bond of its B-aminoalaninamide moiety. This action protects both normal and malignant cells from the cytotoxic effects of BLM.
Therapeutic significance:
Understanding the role of Bleomycin hydrolase could open doors to potential therapeutic strategies. Its ability to inactivate bleomycin, a drug used in cancer treatment, highlights its significance in drug resistance mechanisms and offers a pathway for enhancing the efficacy of cancer therapies.