AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Mitochondrial dynamics protein MIEF1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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

Q9NQG6

UPID:

MID51_HUMAN

Alternative names:

Mitochondrial dynamics protein of 51 kDa; Mitochondrial elongation factor 1; Smith-Magenis syndrome chromosomal region candidate gene 7 protein-like

Alternative UPACC:

Q9NQG6; Q7L890; Q9BUI3

Background:

Mitochondrial dynamics protein MIEF1, also known as Mitochondrial dynamics protein of 51 kDa, Mitochondrial elongation factor 1, and Smith-Magenis syndrome chromosomal region candidate gene 7 protein-like, plays a crucial role in mitochondrial fission. It facilitates the recruitment of dynamin-related protein 1 (DNM1L) to the mitochondrial surface, enhancing DNM1L's GTPase activity and oligomerization. MIEF1's unique ability to bind ADP and influence DNM1L's assembly into tubules underscores its significance in mitochondrial dynamics.

Therapeutic significance:

Understanding the role of Mitochondrial dynamics protein MIEF1 could open doors to potential therapeutic strategies.

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