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

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.

Download Full-text

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

10.33920/med-13-2101-02 ◽

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.

Download Full-text

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

International Journal of Pharmacology ◽

10.3923/ijp.2021.1.14 ◽

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

Download Full-text

Modelling the DFT structural and reactivity study of feverfew and evaluation of its potential antiviral activity against COVID-19 using molecular docking and MD simulations

Chemical Papers ◽

10.1007/s11696-022-02067-6 ◽

2022 ◽

Author(s):

Shradha Lakhera ◽

Kamal Devlal ◽

Arabinda Ghosh ◽

Papia Chowdhury ◽

Meenakshi Rana

Keyword(s):

Molecular Docking ◽

Antiviral Activity ◽

Md Simulations ◽

Reactivity Study

Download Full-text

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

Synthetic Communications ◽

10.1080/00397911.2018.1455871 ◽

2018 ◽

Vol 48 (12) ◽

pp. 1494-1503 ◽

Cited By ~ 4

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

Download Full-text

Essential Oils and Latices as Novel Antiviral Agent Against Potato Leaf Roll Virus and Analysis of Their Phytochemical Constituents Responsible for Antiviral Activity

Journal of Agricultural Science ◽

10.5539/jas.v5n7p167 ◽

2013 ◽

Vol 5 (7) ◽

Author(s):

Sehrish Iftikhar ◽

Ahmad Ali Shahid ◽

Shabnam Javed ◽

Idrees Ahmad Nasir ◽

Bushra Tabassum ◽

...

Keyword(s):

Antiviral Activity ◽

Essential Oils ◽

Leaf Roll ◽

Antiviral Agent ◽

Potato Leaf Roll Virus ◽

Potato Leaf ◽

Phytochemical Constituents

Download Full-text

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

Antimicrobial Agents and Chemotherapy ◽

10.1128/aac.02130-19 ◽

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.

Download Full-text