Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q15223
UPID:
NECT1_HUMAN
Alternative names:
Herpes virus entry mediator C; Herpesvirus Ig-like receptor; Nectin cell adhesion molecule 1; Poliovirus receptor-related protein 1
Alternative UPACC:
Q15223; O75465; Q2M3D3; Q9HBE6; Q9HBW2
Background:
Nectin-1, also known as Herpes virus entry mediator C, plays a crucial role in promoting cell-cell contacts by forming homophilic or heterophilic trans-dimers. It interacts with NECTIN3 and NECTIN4, and possesses neurite outgrowth-promoting activity. Additionally, it serves as a receptor for various herpes simplex viruses, highlighting its significance in microbial infection.
Therapeutic significance:
Nectin-1's involvement in Ectodermal dysplasia, Margarita Island type, and Non-syndromic orofacial cleft 7, underscores its potential as a target for therapeutic intervention. Understanding the role of Nectin-1 could open doors to potential therapeutic strategies for these congenital disorders.