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.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UQ16
UPID:
DYN3_HUMAN
Alternative names:
Dynamin, testicular; T-dynamin
Alternative UPACC:
Q9UQ16; A9Z1Y1; O14982; O95555; Q1MTM8; Q5W129; Q6P2G1; Q9H0P3; Q9H548; Q9NQ68; Q9NQN6
Background:
Dynamin-3, also known as T-dynamin, is a microtubule-associated protein pivotal in microtubule bundle formation and GTP hydrolysis. Its primary role is believed to be in vesicular trafficking, especially in endocytosis processes. The protein's alternative names include Dynamin, testicular and T-dynamin, highlighting its significance in testicular functions.
Therapeutic significance:
Understanding the role of Dynamin-3 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes such as vesicular trafficking and endocytosis underscores its potential as a target for therapeutic intervention in diseases where these processes are dysregulated.