Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 use our state-of-the-art dedicated workflow for designing focused 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
Q53EZ4
UPID:
CEP55_HUMAN
Alternative names:
Up-regulated in colon cancer 6
Alternative UPACC:
Q53EZ4; B2RDG8; D3DR37; Q32WF5; Q3MV20; Q5VY28; Q6N034; Q96H32; Q9NVS7
Background:
Centrosomal protein of 55 kDa, also known as Up-regulated in colon cancer 6, is pivotal in mitotic exit and cytokinesis, facilitating the recruitment of PDCD6IP and TSG101 to the midbody. Its role extends to the development of the brain and kidney, highlighting its significance in cellular division and organogenesis.
Therapeutic significance:
The protein is linked to Multinucleated neurons, anhydramnios, renal dysplasia, cerebellar hypoplasia, and hydranencephaly, a congenital disease leading to severe developmental anomalies and perinatal mortality. Understanding the role of Centrosomal protein of 55 kDa could open doors to potential therapeutic strategies for this devastating condition.