Focused On-demand Library for Mitogen-activated protein kinase 13

Focused On-demand Libraries - Reaxense Collaboration

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.

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 utilise our cutting-edge, exclusive workflow to develop 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

O15264

UPID:

MK13_HUMAN

Alternative names:

Mitogen-activated protein kinase p38 delta; Stress-activated protein kinase 4

Alternative UPACC:

O15264; O14739; O15124; Q5U4A5; Q6FI46; Q9UNU0

Background:

Mitogen-activated protein kinase 13 (MAPK13), also known as p38 delta, is a serine/threonine kinase pivotal in the MAP kinase signal transduction pathway. It is involved in cellular responses to extracellular stimuli, including pro-inflammatory cytokines and physical stress, leading to the activation of transcription factors such as ELK1 and ATF2. MAPK13 phosphorylates a wide range of proteins, playing roles in protein translation regulation, cytoskeletal remodeling, UV irradiation response, keratinocyte differentiation, apoptosis, and skin tumor development.

Therapeutic significance:

Understanding the role of Mitogen-activated protein kinase 13 could open doors to potential therapeutic strategies.