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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 top-notch dedicated system is used to design specialised 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q99959
UPID:
PKP2_HUMAN
Alternative names:
-
Alternative UPACC:
Q99959; A0AV37; B8QFA1; B8QGS6; B8QGS7; D3DUW9; Q4VC01; Q99960
Background:
Plakophilin-2, encoded by the gene with accession number Q99959, plays a pivotal role in cellular adhesion, signal transduction, and cardiac function. It is essential for the formation of desmosome cell junctions in cardiomyocytes, crucial for heart formation and function. Additionally, Plakophilin-2 regulates focal adhesion turnover, influencing cell adhesion and spreading, and is involved in modulating profibrotic gene expression in cardiomyocytes.
Therapeutic significance:
The protein's association with Arrhythmogenic right ventricular dysplasia, familial, 9, a congenital heart disease, underscores its therapeutic significance. Understanding the role of Plakophilin-2 could open doors to potential therapeutic strategies for treating heart diseases and improving cardiac health.