Breaking Down the Barriers to a Natural Antiviral Agent: Antiviral Activity and Molecular Docking of Erythrina speciosa Extract, Fractions, and the Major Compound

2020 ◽  
Vol 17 (2) ◽  
Author(s):  
Nouran M. Fahmy ◽  
Eman Al‐Sayed ◽  
Saad Moghannem ◽  
Faizul Azam ◽  
Mohamed El‐Shazly ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antiviral Activity ◽  
Antiviral Agent ◽  
Natural Antiviral Agent

scholarly journals Filociclovir Is an Active Antiviral Agent against Ocular Adenovirus Isolates In Vitro and in the Ad5/NZW Rabbit Ocular Model

2021 ◽  
Vol 14 (4) ◽  
pp. 294
Author(s):  
Eric G. Romanowski ◽  
Islam T. M. Hussein ◽  
Steven C. Cardinale ◽  
Michelle M. Butler ◽  
Lucas R. Morin ◽  
...  
Keyword(s):  
Antiviral Activity ◽  
Topical Treatment ◽  
Antiviral Agent ◽  
Human Adenovirus ◽  
Treatment Groups ◽  
Ocular Infections ◽  
The Mean ◽  
Eye Infection

Presently, there is no FDA- or EMA-approved antiviral for the treatment of human adenovirus (HAdV) ocular infections. This study determined the antiviral activity of filociclovir (FCV) against ocular HAdV isolates in vitro and in the Ad5/NZW rabbit ocular model. The 50% effective concentrations (EC50) of FCV and cidofovir (CDV) were determined for several ocular HAdV types using standard plaque reduction assays. Rabbits were topically inoculated in both eyes with HAdV5. On day 1, the rabbits were divided into four topical treatment groups: (1) 0.5% FCV 4x/day × 10 d; (2) 0.1% FCV 4x/day × 10 d; (3) 0.5% CDV 2x/day × 7 d; (4) vehicle 4x/day × 10 d. Eyes were cultured for virus on days 0, 1, 3, 4, 5, 7, 9, 11, and 14. The resulting viral eye titers were determined using standard plaque assays. The mean in vitro EC50 for FCV against tested HAdV types ranged from 0.50 to 4.68 µM, whereas those treated with CDV ranged from 0.49 to 30.3 µM. In vivo, compared to vehicle, 0.5% FCV, 0.1% FCV, and 0.5% CDV produced lower eye titers, fewer numbers of positive eye cultures, and shorter durations of eye infection. FCV demonstrated anti-adenovirus activity in vitro and in vivo.

Search for active candidates in a range of flavonoids regarding SARS-CoV-2 by the method of molecular docking

2021 ◽  
pp. 22-35
Author(s):  
Stanislav V. Pechinskii ◽  
Eduard T. Oganesyan ◽  
Anna G. Kuregyan
Keyword(s):  
Molecular Docking ◽  
Antiviral Activity ◽  
Cost Effective ◽  
Structural Features ◽  
Biologically Active ◽  
Active Structures ◽  
Main Protease ◽  
Targeted Screening ◽  
The Relationship ◽  
Structure And Activity

Molecular docking is a convenient and cost-effective tool for targeted screening of biologically active structures. This method makes it possible to reveal the relationship between structure and activity, as well as to search for new active compounds. Due to the fact that the antiviral activity of flavonoids and their derivatives has been shown experimentally and clinically, the study of their antiviral activity against SARS-CoV-2 is a promising study. In an in silico experiment, the possibility of binding 20 flavonoid ligands and the main protease SARS-CoV-2 was studied. The structural features of flavone and flavanone derivatives have been determined, which determine their ability to block the main protease of the SARS-CoV-2 virus. Structures of eight new candidates that bind the main protease SARS-CoV-2, which have the prospect of synthesis and further pharmacological research, have been proposed.

Antiviral Activity of Dopamine Geldanamycin Hybrids Against Influenza Virus and Association with Molecular Docking Analysis

2021 ◽  
Vol 17 (1) ◽  
pp. 1-14
Author(s):  
Thongchai Taechowisa ◽  
Tipparat Samsawat ◽  
Chanjira Jaramornbu ◽  
Weerachai Phutdhawon ◽  
Waya S. Phutdhawong Phutdhawon
Keyword(s):  
Influenza Virus ◽  
Molecular Docking ◽  
Antiviral Activity ◽  
Docking Analysis ◽  
Molecular Docking Analysis

scholarly journals Bis coumarinyl bis triazolothiadiazinyl ethane derivatives: Synthesis, antiviral activity evaluation, and molecular docking studies

2018 ◽  
Vol 48 (12) ◽  
pp. 1494-1503 ◽  
Author(s):  
Sreenu Pavurala ◽  
Krishnaiah Vaarla ◽  
Rajeshkumar Kesharwani ◽  
Lieve Naesens ◽  
Sandra Liekens ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antiviral Activity ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Activity Evaluation

scholarly journals Tryptophan Trimers and Tetramers Inhibit Dengue and Zika Virus Replication by Interfering with Viral Attachment Processes

2020 ◽  
Vol 64 (3) ◽  
Author(s):  
Antonios Fikatas ◽  
Peter Vervaeke ◽  
Belén Martínez-Gualda ◽  
Olaia Martí-Marí ◽  
Sam Noppen ◽  
...  
Keyword(s):  
Antiviral Activity ◽  
Zika Virus ◽  
Antiviral Agent ◽  
Viral Envelope ◽  
Pharmacokinetic Studies ◽  
Host Cell Membrane ◽  
Viral Attachment ◽  
Virus Attachment ◽  
Domain Iii

ABSTRACT Here, we report a class of tryptophan trimers and tetramers that inhibit (at low micromolar range) dengue and Zika virus infection in vitro. These compounds (AL family) have three or four peripheral tryptophan moieties directly linked to a central scaffold through their amino groups; thus, their carboxylic acid groups are free and exposed to the periphery. Structure-activity relationship (SAR) studies demonstrated that the presence of extra phenyl rings with substituents other than COOH at the N1 or C2 position of the indole side chain is a requisite for the antiviral activity against both viruses. The molecules showed potent antiviral activity, with low cytotoxicity, when evaluated on different cell lines. Moreover, they were active against laboratory and clinical strains of all four serotypes of dengue virus as well as a selected group of Zika virus strains. Additional mechanistic studies performed with the two most potent compounds (AL439 and AL440) demonstrated an interaction with the viral envelope glycoprotein (domain III) of dengue 2 virus, preventing virus attachment to the host cell membrane. Since no antiviral agent is approved at the moment against these two flaviviruses, further pharmacokinetic studies with these molecules are needed for their development as future therapeutic/prophylactic drugs.

Spectroscopic, quantum chemical studies, Fukui functions, in vitro antiviral activity and molecular docking of 5-chloro-N-(3-nitrophenyl)pyrazine-2-carboxamide

2016 ◽  
Vol 1119 ◽  
pp. 188-199 ◽  
Author(s):  
S.H. Rosline Sebastian ◽  
Monirah A. Al-Alshaikh ◽  
Ali A. El-Emam ◽  
C. Yohannan Panicker ◽  
Jan Zitko ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antiviral Activity ◽  
Quantum Chemical ◽  
Fukui Functions ◽  
Chemical Studies ◽  
Quantum Chemical Studies

Synthesis, antiviral activity, and molecular docking study of trans-ferulic acid derivatives containing acylhydrazone moiety

2017 ◽  
Vol 27 (17) ◽  
pp. 4096-4100 ◽  
Author(s):  
Zhenzhen Wang ◽  
Dandan Xie ◽  
Xiuhai Gan ◽  
Song Zeng ◽  
Awei Zhang ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antiviral Activity ◽  
Ferulic Acid ◽  
Docking Study ◽  
Molecular Docking Study

scholarly journals Ribonucleosides Bearing Michael Acceptors: Synthesis, Molecular Docking, Enzyme Inhibition Data and Antiviral Activity

2008 ◽  
Vol 52 (1) ◽  
pp. 625-626 ◽  
Author(s):  
V. Nair ◽  
V. Uchil ◽  
X. Ma ◽  
Q. Zhu ◽  
F. Zhang ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antiviral Activity ◽  
Enzyme Inhibition ◽  
Inhibition Data ◽  
Michael Acceptors
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