Focused On-demand Library for Mitochondrial fission factor

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create 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 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

Q9GZY8

UPID:

MFF_HUMAN

Alternative names:

Alternative UPACC:

Q9GZY8; Q567U1; Q658R6; Q9BVZ1; Q9H690; Q9NRG8

Background:

The Mitochondrial fission factor plays a pivotal role in cellular health by facilitating mitochondrial and peroxisomal fission. This protein ensures the proper distribution of mitochondria and peroxisomes in cells by promoting the recruitment of dynamin-related protein 1 (DNM1L) to the mitochondrial surface, crucial for their division. It also influences synaptic vesicle membrane dynamics, highlighting its importance in cellular functionality.

Therapeutic significance:

The protein's involvement in Encephalopathy due to defective mitochondrial and peroxisomal fission 2, a disorder marked by severe developmental delays and neurological issues, underscores its therapeutic potential. Understanding the role of Mitochondrial fission factor could open doors to potential therapeutic strategies for treating mitochondrial and peroxisomal disorders, offering hope for interventions that could ameliorate or even prevent the progression of such diseases.