Focused On-demand Library for Target of rapamycin complex 2 subunit MAPKAP1

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.

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.

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.

We utilise our cutting-edge, exclusive workflow to develop 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9BPZ7

UPID:

SIN1_HUMAN

Alternative names:

Mitogen-activated protein kinase 2-associated protein 1; Stress-activated map kinase-interacting protein 1

Alternative UPACC:

Q9BPZ7; A8K1Z5; B1AMA4; B7Z309; Q00426; Q5JSV5; Q5JSV6; Q5JSV9; Q658R0; Q699U1; Q699U2; Q699U3; Q699U4; Q6GVJ0; Q6GVJ1; Q6GVJ2

Background:

Target of rapamycin complex 2 subunit MAPKAP1, also known as Mitogen-activated protein kinase 2-associated protein 1, plays a pivotal role in cell growth and survival. It is a crucial component of mTORC2, responding to hormonal signals and regulating the actin cytoskeleton through Rho GTPases. Its involvement in AKT1 'Ser-473' phosphorylation and modulation of PRKCA on 'Ser-657' underscores its significance in cellular signaling pathways.

Therapeutic significance:

Understanding the role of Target of rapamycin complex 2 subunit MAPKAP1 could open doors to potential therapeutic strategies. Its central function in critical signaling pathways offers a promising avenue for drug discovery, aiming to modulate its activity for therapeutic benefits.