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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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
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.