Focused On-demand Library for Caspase-7

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

P55210

UPID:

CASP7_HUMAN

Alternative names:

Apoptotic protease Mch-3; CMH-1; ICE-like apoptotic protease 3

Alternative UPACC:

P55210; B4DQU7; B5BU45; D3DRB8; Q13364; Q53YD5; Q5SVL0; Q5SVL3; Q96BA0

Background:

Caspase-7, known by alternative names such as Apoptotic protease Mch-3, CMH-1, and ICE-like apoptotic protease 3, plays a pivotal role in programmed cell death processes including apoptosis, pyroptosis, and granzyme-mediated cell death. It preferentially targets Asp-Glu-Val-Asp (DEVD) sequences, indicating its specificity in cleaving proteins involved in cell death execution. Its activation is mediated by upstream proteases, positioning it as an effector caspase in apoptosis.

Therapeutic significance:

Understanding the role of Caspase-7 could open doors to potential therapeutic strategies. Its involvement in apoptosis and inflammation regulation highlights its potential as a target for drug discovery efforts aimed at controlling cell death in diseases.