scholarly journals Instant determination of the artemisinin from various Artemisia annua L . extracts by LC‐ESI‐MS/MS and their in‐silico modelling and in vitro antiviral activity studies against SARS‐CoV‐2

2021 ◽  
Author(s):  
Kubra Dogan ◽  
Ebru Erol ◽  
Muge Didem Orhan ◽  
Zehra Degirmenci ◽  
Tugce Kan ◽  
...  
Keyword(s):  
Antiviral Activity ◽  
In Silico ◽  
Artemisia Annua ◽  
Esi Ms ◽  
Artemisia Annua L ◽  
In Silico Modelling

In silico screening of phytoconstituents with antiviral activities against SARS-COV-2 main protease, Nsp12 polymerase and Nsp13 helicase proteins

2021 ◽  
Vol 18 ◽  
Author(s):  
Jainey James ◽  
Divya Jyothi ◽  
Sneh Priya
Keyword(s):  
Antiviral Activity ◽  
Molecular Interactions ◽  
In Silico ◽  
Antiviral Treatment ◽  
In Vivo Studies ◽  
Main Protease ◽  
Hypothesis Model ◽  
Antiviral Activities ◽  
Pharmacophore Hypothesis

Aims: The present study aim was to analyse the molecular interactions of the phytoconstituents known for their antiviral activity with the SARS-CoV-2 nonstructural proteins such as main protease (6LU7), Nsp12 polymerase (6M71), and Nsp13 helicase (6JYT). The applied in silico methodologies was molecular docking and pharmacophore modeling using Schrodinger software. Methods: The phytoconstituents were taken from PubChem, and SARS-CoV-2 proteins were downloaded from the protein data bank. The molecular interactions, binding energy, ADMET properties and pharmacophoric features were analysed by glide XP, prime MM-GBSA, qikprop and phase application of Schrodinger respectively. The antiviral activity of the selected phytoconstituents was carried out by PASS predictor, online tools. Results: The docking score analysis showed that quercetin 3-rhamnoside (-8.77 kcal/mol) and quercetin 3-rhamnoside (-7.89 kcal/mol) as excellent products to bind with their respective targets such as 6LU7, 6M71 and 6JYT. The generated pharmacophore hypothesis model validated the docking results, confirming the hydrogen bonding interactions of the amino acids. The PASS online tool predicted constituent's antiviral potentials. Conclusion: The docked phytoconstituents showed excellent interactions with the SARS-CoV-2 proteins, and on the outset, quercetin 3-rhamnoside and quercetin 7-rhamnoside have well-interacted with all the three proteins, and these belong to the plant Houttuynia cordata. The pharmacophore hypothesis has revealed the characteristic features responsible for their interactions, and PASS prediction data has supported their antiviral activities. Thus, these natural compounds could be developed as lead molecules for antiviral treatment against SARS-CoV-2. Further in-vitro and in-vivo studies could be carried out to provide better drug therapy.

Anthelmintic activity of Artemisia annua L. extracts in vitro and the effect of an aqueous extract and artemisinin in sheep naturally infected with gastrointestinal nematodes

2014 ◽  
Vol 113 (6) ◽  
pp. 2345-2353 ◽  
Author(s):  
Aida C. Cala ◽  
Jorge F. S. Ferreira ◽  
Ana Carolina S. Chagas ◽  
Javier M. Gonzalez ◽  
Rodney A. F. Rodrigues ◽  
...  
Keyword(s):  
Aqueous Extract ◽  
Artemisia Annua ◽  
Anthelmintic Activity ◽  
Gastrointestinal Nematodes ◽  
Artemisia Annua L

scholarly journals In vitro and in silico determination of glutaminyl cyclase inhibitors

RSC Advances ◽  
2019 ◽  
Vol 9 (51) ◽  
pp. 29619-29627 ◽  
Author(s):  
Phuong-Thao Tran ◽  
Van-Hai Hoang ◽  
Jeewoo Lee ◽  
Tran Thi Thu Hien ◽  
Nguyen Thanh Tung ◽  
...  
Keyword(s):  
In Silico ◽  
Rational Design ◽  
Glutaminyl Cyclase

Rational design of new hQC inhibitors.

scholarly journals Toxoplasma gondii: Effects of Artemisia annua L. on susceptibility to infection in experimental models in vitro and in vivo

2009 ◽  
Vol 122 (3) ◽  
pp. 233-241 ◽  
Author(s):  
Taísa Carrijo de Oliveira ◽  
Deise A. Oliveira Silva ◽  
Cristina Rostkowska ◽  
Samantha Ribeiro Béla ◽  
Eloisa A.V. Ferro ◽  
...  
Keyword(s):  
Toxoplasma Gondii ◽  
Artemisia Annua ◽  
Experimental Models ◽  
Susceptibility To Infection ◽  
Artemisia Annua L

scholarly journals In vitro assessment of genotoxic and cytotoxic effects of Artemisia annua L. tincture

2021 ◽  
Vol 5 (2) ◽  
pp. 1
Author(s):  
Tamara Ćetković ◽  
Anja Haverić ◽  
Lejla Čaluk Klačar ◽  
Maida Hadžić Omanović ◽  
Sanin Haverić
Keyword(s):  
Peripheral Blood ◽  
Artemisia Annua ◽  
Neutral Red ◽  
Cytotoxic Effects ◽  
Artemisia Annua L ◽  
Peripheral Blood Culture ◽  
Pharmaceutical Form ◽  
In Series ◽  
Dose Dependent

The genus Artemisia (fam. Asteraceae) is one of the largest and widely distributed with around 500 species, majority used as aromatic and medicinal plants. Artemisia annua L. is widely used as a dietary spice, herbal tea, as a supplement, and in a non-pharmaceutical form for treatment of malaria and fever. It is orally consumed as capsules, extracts and tinctures and topically applied as an essential oil diluted in lotions and ointments. Artemisinin is the main constituent of Artemisia annua L. extracts. Since the discovery that the artemisinin is efficient in malaria treatment, there is also a growth in consumption of A. annua extracts for antitumour and even recently for antiviral treatments against SARS-CoV-2 infections. This study aimed to investigate genotoxic effect in peripheral blood culture and cytotoxic effects in cancer and normal cell lines, of commercially available A. annua L. tincture in series of dilutions. Both comet and neutral red uptake assays revealed dose-dependent genotoxicity and cytotoxicity of A. annua tincture dilutions. Comet assay revealed significantly increased DNA damage in peripheral blood cells while neutral-red assays showed increase in cytotoxicity (p<0.001) in both normal and cancer cell cultures treated with the lowest extract dilution compared to the highest one applied. Obtained results indicate caution needed in A. annua L. tincture use, especially when poorly diluted.

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