Focused On-demand Library for Mitochondrial fission factor

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.

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

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project 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.