ABSTRACT
Regular exercise can increase the sensitivity of endogenous antioxidants so that it can increase the immune system against viral infections. Antioxidants like bioflavonoids, which are found in lemon peel essential oil, help shield the body from the damaging effects of free radicals and immunomodulators. The goal of this research was to find out whether or not frequent moderate -intensity exercise and the lemon peel essential oil can boost immunity during the Covid-19 Pandemic. The experimental animals were separated into two groups at random, with ten white rats in each group: group P1 consisted of rats that participated in swimming activities of moderate intensity for forty minutes;group P2 consisted of rats that participated in swimming activities of moderate intensity for forty minutes, but also received 0.05 milliliters of lemon peel essential oil every hour for the preceding hour before the rats participated in swimming activities. The average TAC level in the RDF group (pre-test 320.34 +/- 44.05 mu mol;post-test 353.01 +/- 70.22 mu mol) and average CRP level (pre-test 0.54 +/- 0.11 ng/ml;post-test 0.49 +/- 0.04 ng/ml). The average TAC level in the RE groups (pre-test 338.15 +/- 29.14 mu mol;post-test 356.48 +/- 44.34 mu mol) and average CRP level (pre-test 0.56 +/- 0.04 ng/ml;post-test 0.53 +/- 0.09 ng/ml). There were no significantly increased TAC (p>0.05) and decreased CRP (p>0.05) after the exercise test compared to before. There were no substantial differences between the two groups (p>0.05).
ABSTRACT
ACE2 an enzyme is the functional receptor to SARS-CoV-2, the virus responsible for the Covid-19 pandemic. Besides having antibacterial activity, Coix essential oil is also reported to have antiviral activity. There is at the moment no effective treatment for this disease. It is of interest to use a structure-based virtual screening approach for the identification of potential ACE2 inhibitors of the main receptor of SARS-CoV-2 from tetradodecanoic of Coix phytochemical compound used to treat other influenza virus infection. The crystallographic structure with PDB ID: 1R4L of ACE2 in complex with the inhibitor XX5 was used as a model in the virtual screening of tetradodecanoic collected from the GCMS analysis of Coix essential oil. Molecular docking analysis was performed using the standard AutoDock vina protocol followed by ranking and selection of compounds based on their binding affinity. This analysis reported the optimal binding features of tetradodecanoic to the active site of the ACE2 for further consideration as potential SARS-CoV-2 antiviral. © 2022 American Institute of Physics Inc.. All rights reserved.
ABSTRACT
Covid-19 is an ongoing pandemic as we speak in 2022. This infectious disease is caused by the SARS-CoV-2 virus, which infects cells by binding to the angiotensin-converting enzyme 2 (ACE2) receptor on the cell surface. Thus, strategies that inhibit the binding of SARS-CoV-2 to the ACE2 receptor can stop this contagion. Hanjeli (Coix lacryma-jobi) essential oil contains many bioactive compounds, including dodecanoic acid;tetradecanoic acid;7-Amino-8-imino-2-(2-imino-2H-chromen-3-yl);and 1,5,7,10-tetraaza-phen-9-one. These compounds suppress viral replication and may prevent Covid-19. Accordingly, this study assessed whether, these four limonoid compounds can block the ACE2 receptor. To this end, their physicochemical properties were predicted using Lipinski's “rule of five” on the SwissADME website, and their toxicity was assessed using the online tools ProTox and pkCSM. Additionally, their interactions with the ACE2 receptor were predicted via molecular docking using Autodock Vina. All the four compounds satisfied the “rule of five” and tetradecanoic acid was predicted to have a higher affinity than the comparison compound remdesivir and the original ligand of ACE2. Molecular docking results suggested that the compounds from hanjeli essential oil interact with the active site of the ACE2 receptor similarly as the original ligand and remdesivir. In conclusion, hanjeli essential oil contains compounds predicted hinder the interaction of SARS-CoV-2 with the ACE2 receptor. Accordingly, our data may facilitate the development of a phytomedical strategy against SARS-CoV-2 infection. © Korean Society for Plant Biotechnology
ABSTRACT
ACE2 is a type 1 membrane integral glycoprotein which is highly expressed in the respiratory tract (lungs). The presence of excessive ACE2 becomes an opportunity for the entry of SARS-CoV-2 and the beginning of its pathogenesis. The mechanism of ACE2 inhibition or suppression of this enzyme is one of the targets for controlling SARS-CoV-2 infection. Syzygium cumini (jamblang) is an aromatic herbal plant that has broad-spectrum pharmacological properties, one of which is as an antiviral. This study aims to predict toxicity and predict compound activity against ACE2 receptors (PDB ID 1R4L). Previously, the predictions of physicochemical properties have been carried out using the SwissADME application. The physicochemical properties refer to Lipinski's Five Laws. The results showed that jamblang leaf essential oil complied with Lipinski's Five Laws with 0 errors each. Furthermore, the prediction of toxicity was carried out using the pkCSM Online Tools and Protox Online Tools applications. The results of the LD50 value and the classification of toxicity classes were classified according to GHS. Jamblang leaf essential oil compound had the highest LD50 of 5000 mg/kg and belongs to class 5. The prediction of compound activity was done using the Molegro Virtual Docker (MVD) application. The 1R4L receptor was said to be valid because it had an RMSD value <2. The best and lowest A. Rerank score (RS) of the comparison drugs was the essential oil compound of Jamblang leaf with RS of-73.338 kcal/mol. Jamblang leaf essential oil compounds interact with the ACE2 receptor (1R4L) in cavity 4. With this prediction, it had ACE2 inhibitory potential, so jamblang leaf essential oil compounds could be recommended for further development as candidates for antiviral drugs. © 2021, SILAE (Italo-Latin American Society of Ethnomedicine). All rights reserved.