Focused On-demand Library for Mitochondrial dynamics protein MID49

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.

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.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96C03

UPID:

MID49_HUMAN

Alternative names:

Mitochondrial dynamics protein of 49 kDa; Mitochondrial elongation factor 2; Smith-Magenis syndrome chromosomal region candidate gene 7 protein

Alternative UPACC:

Q96C03; J3KPT3; Q6ZRD4; Q96N07

Background:

Mitochondrial dynamics protein MID49, also known as Mitochondrial dynamics protein of 49 kDa, Mitochondrial elongation factor 2, and Smith-Magenis syndrome chromosomal region candidate gene 7 protein, plays a pivotal role in mitochondrial organization. It is essential for mitochondrial fission, facilitating the recruitment and association of dynamin-related protein 1 (DNM1L) to the mitochondrial surface, a process crucial for cellular energy management and apoptosis.

Therapeutic significance:

The protein's involvement in Combined oxidative phosphorylation deficiency 49, a mitochondrial myopathy characterized by muscle weakness and exercise intolerance, underscores its therapeutic potential. Understanding the role of Mitochondrial dynamics protein MID49 could open doors to potential therapeutic strategies for mitochondrial disorders.