Focused On-demand Library for Microtubule-associated protein tau

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P10636

UPID:

TAU_HUMAN

Alternative names:

Neurofibrillary tangle protein; Paired helical filament-tau

Alternative UPACC:

P10636; P18518; Q14799; Q15549; Q15550; Q15551; Q1RMF6; Q53YB1; Q5CZI7; Q5XWF0; Q6QT54; Q9UDJ3; Q9UMH0; Q9UQ96

Background:

Microtubule-associated protein tau, known as Neurofibrillary tangle protein or Paired helical filament-tau, plays a pivotal role in promoting microtubule assembly and stability. It is crucial in neuronal polarity establishment and maintenance, acting as a linker between axonal microtubules and neural plasma membrane components. The protein's localization influences axonal polarity, with its isoforms affecting cytoskeleton plasticity and stabilization.

Therapeutic significance:

Tau is implicated in several neurodegenerative diseases, including Frontotemporal dementia, Pick disease of the brain, Progressive supranuclear palsy 1, and Parkinson-dementia syndrome. These conditions are characterized by cognitive decline, memory loss, and motor symptoms, with tau pathology being a common hallmark. Understanding the role of tau in these diseases could lead to novel therapeutic strategies targeting tau pathology to alleviate or halt disease progression.