Cordyceps militaris Inhibited Angiotensin-Converting Enzyme through Molecular Interaction between Cordycepin and ACE C-Domain.
Mónica A Valdez-SolanaIván A Corral-GuerreroAlfredo Téllez ValenciaClaudia Avitia-DomínguezJorge Armando Meza VelázquezAtahualpa Guzmán de CasaErick Sierra-CamposPublished in: Life (Basel, Switzerland) (2022)
One of the most important therapeutic modalities for the management of hypertension is the inhibition of the angiotensin-converting enzyme (ACE). Cordyceps militaris has received substantial attention because to its therapeutic potential and biological value. To gather information about the antihypertensive properties of C. militaris , the ACE inhibitory activity was evaluated. An ethanolic extract of the fruiting body of C. militaris was obtained, and the extract was separated by UHPLC method with a fluorescence detector for the quantification of cordycepin and adenosine. The ethanolic extract had a considerably higher cordycepin level. Additionally, an in vitro kinetic analysis was carried out to find out how much C. militaris extract inhibited ACE. This extract exhibited non-competitive inhibition on ACE. The Ki value of the C. militaris extract against ACE was found to be 8.7 µg/mL. To the best of our knowledge, this is the first report of the analysis of a protein cavity together with molecular docking carried out to comprehend the intermolecular interactions between cordycepin and the ACE C-domain, which impact the spatial conformation of the enzyme and reduce its capacity to break down the substrate. According to a molecular docking, hydrogen bonding interactions between the chemicals and the ACE S2' subsite are primarily responsible for cordycepin inhibition at the ACE C domain. All these findings suggest that C. militaris extract are a kind of natural ACE inhibitor, and cordycepin has the potential as an ACE inhibitor.
Keyphrases
- angiotensin converting enzyme
- angiotensin ii
- molecular docking
- oxidative stress
- anti inflammatory
- molecular dynamics simulations
- healthcare
- ms ms
- working memory
- computed tomography
- risk assessment
- magnetic resonance imaging
- radiation therapy
- magnetic resonance
- lymph node
- health information
- high resolution
- mass spectrometry
- energy transfer
- hypertensive patients