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 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.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96M32
UPID:
KAD7_HUMAN
Alternative names:
ATP-AMP transphosphorylase 7
Alternative UPACC:
Q96M32; Q8IYP6
Background:
Adenylate kinase 7, also known as ATP-AMP transphosphorylase 7, plays a crucial role in cellular energy homeostasis by catalyzing the transfer of phosphate groups between nucleoside triphosphates and monophosphates. It exhibits the highest activity towards AMP and is involved in maintaining ciliary structure and function, highlighting its importance in cellular mechanics and signaling.
Therapeutic significance:
The protein's association with Spermatogenic failure 27, a disorder characterized by defects in spermatogenesis leading to abnormal sperm flagella, underscores its potential as a target for therapeutic intervention. Understanding the role of Adenylate kinase 7 could open doors to potential therapeutic strategies for treating infertility issues related to spermatogenic defects.