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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
Our high-tech, dedicated method is applied to construct targeted 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
Q15274
UPID:
NADC_HUMAN
Alternative names:
Quinolinate phosphoribosyltransferase [decarboxylating]
Alternative UPACC:
Q15274; Q53XW7; Q96G22; Q9BSG6
Background:
Nicotinate-nucleotide pyrophosphorylase [carboxylating], also known as Quinolinate phosphoribosyltransferase [decarboxylating], plays a crucial role in the catabolism of quinolinic acid (QA). This enzyme is pivotal in the metabolic pathways that regulate the synthesis and degradation of nicotinamide adenine dinucleotide (NAD+), a coenzyme essential for energy production and cellular metabolism.
Therapeutic significance:
Understanding the role of Nicotinate-nucleotide pyrophosphorylase [carboxylating] could open doors to potential therapeutic strategies. Its involvement in NAD+ metabolism suggests its potential impact on conditions related to energy dysregulation and cellular aging.