Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P00156
UPID:
CYB_HUMAN
Alternative names:
Complex III subunit 3; Complex III subunit III; Cytochrome b-c1 complex subunit 3; Ubiquinol-cytochrome-c reductase complex cytochrome b subunit
Alternative UPACC:
P00156; Q34786; Q8HBR6; Q8HNQ0; Q8HNQ1; Q8HNQ9; Q8HNR4; Q8HNR7; Q8W7V8; Q8WCV9; Q8WCY2; Q8WCY7; Q8WCY8; Q9B1A6; Q9B1B6; Q9B1B8; Q9B1D4; Q9B1X6; Q9B2V0; Q9B2V8; Q9B2W0; Q9B2W3; Q9B2W8; Q9B2X1; Q9B2X7; Q9B2X9; Q9B2Y3; Q9B2Z0; Q9B2Z4; Q9T6H6; Q9T9Y0; Q9TEH4
Background:
Cytochrome b, known as Complex III subunit 3, plays a pivotal role in the mitochondrial respiratory chain. It facilitates electron transfer from ubiquinol to cytochrome c, contributing to ATP synthesis. This protein's alternative names include Complex III subunit III and Ubiquinol-cytochrome-c reductase complex cytochrome b subunit.
Therapeutic significance:
Cytochrome b's malfunction is linked to diseases such as Cardiomyopathy, infantile histiocytoid, and Leber hereditary optic neuropathy. These associations underscore the protein's potential as a target for therapeutic intervention in mitochondrial and cardiovascular disorders.