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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create 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
Q96BT3
UPID:
CENPT_HUMAN
Alternative names:
Interphase centromere complex protein 22
Alternative UPACC:
Q96BT3; Q96I29; Q96IC6; Q96NK9; Q9H901
Background:
Centromere protein T (CENPT), also known as Interphase centromere complex protein 22, is pivotal in kinetochore assembly, chromosome segregation, and mitotic progression. It is part of the CENPA-NAC complex, crucial for incorporating CENPA into centromeres, and the CENP-T-W-S-X complex, essential for DNA supercoiling and kinetochore structure.
Therapeutic significance:
Understanding the role of Centromere protein T could open doors to potential therapeutic strategies.