Focused On-demand Library for Dual specificity protein phosphatase 26

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q9BV47

UPID:

DUS26_HUMAN

Alternative names:

Dual specificity phosphatase SKRP3; Low-molecular-mass dual-specificity phosphatase 4; Mitogen-activated protein kinase phosphatase 8; Novel amplified gene in thyroid anaplastic cancer

Alternative UPACC:

Q9BV47; D3DSV8; Q9BTW0

Background:

Dual specificity protein phosphatase 26 (DUSP26), also known as Mitogen-activated protein kinase phosphatase 8, plays a crucial role in cellular processes by inactivating MAPK1 and MAPK3. This action leads to the dephosphorylation of heat shock factor protein 4, reducing its DNA-binding activity. DUSP26 is also involved in inhibiting MAP kinase p38 and preventing apoptosis in anaplastic thyroid cancer cells, alongside its ability to activate MAP kinase p38 and c-Jun N-terminal kinase (JNK).

Therapeutic significance:

Understanding the role of Dual specificity protein phosphatase 26 could open doors to potential therapeutic strategies.