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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
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 stands out due to several important features:
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.