Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q96GX9
UPID:
MTNB_HUMAN
Alternative names:
APAF1-interacting protein
Alternative UPACC:
Q96GX9; A8K9D3; Q6PJX6; Q8WVU2; Q96HK2; Q9Y318
Background:
Methylthioribulose-1-phosphate dehydratase, also known as an APAF1-interacting protein, plays a pivotal role in the methionine salvage pathway. This enzyme catalyzes the conversion of methylthioribulose-1-phosphate into 2,3-diketo-5-methylthiopentyl-1-phosphate, a critical step in a pathway that is essential for cellular functions including cancer progression, apoptosis, microbial proliferation, and inflammation regulation.
Therapeutic significance:
Understanding the role of Methylthioribulose-1-phosphate dehydratase could open doors to potential therapeutic strategies. Its involvement in key biological processes such as the inhibition of CASP1-related inflammatory response, CASP9-dependent apoptotic pathway, and cytochrome c-dependent cell death highlights its potential as a target for therapeutic intervention in diseases characterized by these pathological processes.