AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for [F-actin]-monooxygenase MICAL2

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O94851

UPID:

MICA2_HUMAN

Alternative names:

MICAL C-terminal-like protein; Molecule interacting with CasL protein 2

Alternative UPACC:

O94851; A0A2R8YFA9; B4DGZ0; B7Z849; D3DQW5; G3XAC8; Q5KTR3; Q5KTR4; Q6ZW33; Q7RTP7; Q7Z3A8; Q96JU6

Background:

[F-actin]-monooxygenase MICAL2, also known as Molecule interacting with CasL protein 2, plays a pivotal role in cellular dynamics by promoting the depolymerization of F-actin. It achieves this through the oxidation of specific methionine residues on actin, leading to filament disassembly. This protein is also instrumental in regulating the SRF signaling pathway, which is crucial for various cellular processes.

Therapeutic significance:

Understanding the role of [F-actin]-monooxygenase MICAL2 could open doors to potential therapeutic strategies. Its unique function in actin filament disassembly and SRF signaling pathway regulation presents an intriguing target for drug discovery efforts aimed at modulating cellular dynamics and gene transcription.

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