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.
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
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 stands out due to several important features:
partner
Reaxense
upacc
Q9Y3D6
UPID:
FIS1_HUMAN
Alternative names:
FIS1 homolog; Tetratricopeptide repeat protein 11
Alternative UPACC:
Q9Y3D6; Q9BTP3
Background:
Mitochondrial fission 1 protein, also known as FIS1 homolog and Tetratricopeptide repeat protein 11, plays a pivotal role in mitochondrial dynamics, including the fragmentation of the mitochondrial network and its perinuclear clustering. It is involved in the recruitment of the fission mediator dynamin-related protein 1 to the mitochondrial surface, contributing to mitochondrial and peroxisomal fission. This protein's function is crucial for mitochondrial homeostasis, mitophagy, and apoptosis, highlighted by its ability to induce cytochrome c release, leading to apoptosis.
Therapeutic significance:
Understanding the role of Mitochondrial fission 1 protein could open doors to potential therapeutic strategies.