AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sarcoplasmic/endoplasmic reticulum calcium ATPase regulator DWORF

Available from Reaxense
Predicted by Alphafold

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P0DN84

UPID:

DWORF_HUMAN

Alternative names:

Dwarf open reading frame; Small transmembrane regulator of ion transport 1

Alternative UPACC:

P0DN84; A0A1B0GTW0

Background:

The Sarcoplasmic/endoplasmic reticulum calcium ATPase regulator DWORF, also known as Dwarf open reading frame and Small transmembrane regulator of ion transport 1, plays a pivotal role in skeletal muscle activity. It enhances the activity of ATP2A1/SERCA1 ATPase in the sarcoplasmic reticulum by displacing ATP2A1/SERCA1 inhibitors. This action is crucial for regulating calcium uptake and myocyte contractility, achieved by displacing inhibitory peptides such as sarcolipin (SLN), phospholamban (PLN), and myoregulin (MRLN).

Therapeutic significance:

Understanding the role of Sarcoplasmic/endoplasmic reticulum calcium ATPase regulator DWORF could open doors to potential therapeutic strategies, particularly in enhancing muscle contractility and addressing disorders related to calcium dysregulation.

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