Focused On-demand Library for Dynamin-like 120 kDa protein, mitochondrial

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.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

O60313

UPID:

OPA1_HUMAN

Alternative names:

Optic atrophy protein 1

Alternative UPACC:

O60313; D3DNW4; E5KLJ5; E5KLJ6; E5KLJ7; E5KLK1; E5KLK2

Background:

Dynamin-like 120 kDa protein, mitochondrial, also known as Optic atrophy protein 1, plays a pivotal role in maintaining mitochondrial morphology through the regulation of mitochondrial fusion and fission. It binds to lipid membranes, promoting membrane tubulation, and is involved in mitochondrial genome maintenance. Its activity is crucial for the balance between mitochondrial dynamics and the structural integrity of the mitochondrial network.

Therapeutic significance:

Optic atrophy protein 1 is implicated in several diseases, including Optic atrophy 1, Dominant optic atrophy plus syndrome, Behr syndrome, and Mitochondrial DNA depletion syndrome 14. These conditions highlight the protein's critical role in visual function and neurological health. Understanding its mechanisms opens avenues for targeted therapies in mitochondrial and neurodegenerative diseases.