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.
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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q86WG5
UPID:
MTMRD_HUMAN
Alternative names:
Inactive phosphatidylinositol 3-phosphatase 13; SET-binding factor 2
Alternative UPACC:
Q86WG5; Q3MJF0; Q68DQ3; Q6P459; Q6PJD1; Q7Z325; Q7Z621; Q86VE2; Q96FE2; Q9C097
Background:
Myotubularin-related protein 13, also known as Inactive phosphatidylinositol 3-phosphatase 13 and SET-binding factor 2, plays a pivotal role in cellular processes. It functions as a Guanine nucleotide exchange factor (GEF), activating RAB21 and possibly RAB28, facilitating the conversion of GDP-bound Rab proteins into their active GTP-bound form. This protein is instrumental in starvation-induced autophagy, activating RAB21 for SNARE-mediated autophagosome-lysosome fusion, and acts as an adapter for the phosphatase MTMR2, enhancing its catalytic activity.
Therapeutic significance:
Myotubularin-related protein 13's involvement in Charcot-Marie-Tooth disease 4B2, a recessive demyelinating form, underscores its therapeutic significance. Understanding its role could lead to novel therapeutic strategies targeting the underlying genetic variants affecting this protein, offering hope for patients with this peripheral nervous system disorder.