Focused On-demand Library for Cytochrome c

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

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:

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

P99999

UPID:

CYC_HUMAN

Alternative names:

Alternative UPACC:

P99999; A4D166; B2R4I1; P00001; Q6NUR2; Q6NX69; Q96BV4

Background:

Cytochrome c plays a pivotal role in cellular energy production and apoptosis. As an electron carrier protein, it facilitates the transfer of electrons within the mitochondrial electron-transport chain, crucial for ATP synthesis. Additionally, its involvement in apoptosis, through the regulation of mitochondrial membrane permeability and activation of caspases, underscores its importance in cellular homeostasis.

Therapeutic significance:

Given its role in Thrombocytopenia 4, a disorder characterized by reduced platelet count and clotting capability, Cytochrome c's study is vital. Understanding the mechanisms by which variants affecting Cytochrome c contribute to this condition could lead to targeted therapeutic strategies, enhancing treatment options for affected individuals.