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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H8V3
UPID:
ECT2_HUMAN
Alternative names:
Epithelial cell-transforming sequence 2 oncogene
Alternative UPACC:
Q9H8V3; Q0MT80; Q2M269; Q6U836; Q9NSV8; Q9NVW9
Background:
Protein ECT2, known as Epithelial cell-transforming sequence 2 oncogene, plays a pivotal role in cellular processes, including cytokinesis, spindle assembly, and epithelial cell polarity. It acts as a guanine nucleotide exchange factor, facilitating the exchange of GDP for GTP on Rho family GTPases such as RHOA, RHOC, RAC1, and CDC42. ECT2 is integral to the centralspindlin complex, crucial for myosin contractile ring formation during cell division, and is involved in neurite outgrowth and cancer cell proliferation.
Therapeutic significance:
Understanding the role of Protein ECT2 could open doors to potential therapeutic strategies.