Focused On-demand Library for Adenylate kinase isoenzyme 6

Focused On-demand Libraries - Reaxense Collaboration

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.

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 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9Y3D8

UPID:

KAD6_HUMAN

Alternative names:

Adrenal gland protein AD-004; Coilin-interacting nuclear ATPase protein; Dual activity adenylate kinase/ATPase

Alternative UPACC:

Q9Y3D8; A8MSZ6; Q5F2S9

Background:

Adenylate kinase isoenzyme 6, known by alternative names such as Adrenal gland protein AD-004, Coilin-interacting nuclear ATPase protein, and Dual activity adenylate kinase/ATPase, plays a pivotal role in cellular energy metabolism. It facilitates the reversible transfer of phosphate groups among nucleoside triphosphates and monophosphates, with a preference for AMP, dAMP, CMP, and dCMP as substrates. Its ability to utilize various nucleoside triphosphates as phosphate donors, especially CTP, underscores its versatility in nuclear energy homeostasis and possibly in Cajal body formation.

Therapeutic significance:

Understanding the role of Adenylate kinase isoenzyme 6 could open doors to potential therapeutic strategies.