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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9HAB8
UPID:
PPCS_HUMAN
Alternative names:
Phosphopantothenoylcysteine synthetase
Alternative UPACC:
Q9HAB8; Q3KQT2; Q5VVM0
Background:
Phosphopantothenate--cysteine ligase, also known as Phosphopantothenoylcysteine synthetase, plays a pivotal role in the biosynthesis of coenzyme A from vitamin B5. This enzyme catalyzes the conjugation of cysteine to 4'-phosphopantothenate, forming 4-phosphopantothenoylcysteine, with a preference for ATP as a cosubstrate. Its activity is crucial for cellular functions and metabolic processes.
Therapeutic significance:
The enzyme's link to Cardiomyopathy, dilated, 2C, a disorder characterized by ventricular dilation and impaired systolic function, underscores its therapeutic significance. Understanding the role of Phosphopantothenate--cysteine ligase could open doors to potential therapeutic strategies for treating heart failure and arrhythmia associated with this condition.