Molecular Docking Study of Several Seconder Metabolites from Medicinal Plants as Potential Inhibitors of COVID-19 Main Protease

Bilginer, Sinan; Gözcü, Sefa; Güvenalp, Zühal

doi:10.4274/tjps.galenos.2021.83548

Cited by 4 publications

(9 citation statements)

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Although the preprint was not published elsewhere to date, other studies confirm the results. Bilginer et al [ 58 ] also showed similar data for kaempferol, quercetin, and oleuropein; instead, Halder et al [ 81 ] for curcumin and catechin. Moreover, Mukheriee et al [ 59 ] confirmed a possible binding of epicatechin-gallate, quercetin, and kaempferol to the M pro active site, with binding energies values of −8.5, −7.6, and −7.3 Kcal/mol respectively, and underline as epigallocatechin-gallate shows the best affinity in comparison to the re-docked inhibitor binding energy (−7.7 Kcal/mol).…”

Section: Natural Phytocompounds With Potential To Inhibit the Coronav...mentioning

confidence: 94%

Food Plant Secondary Metabolites Antiviral Activity and Their Possible Roles in SARS-CoV-2 Treatment: An Overview

2023

View full text Add to dashboard Cite

Natural products and plant extracts exhibit many biological activities, including that related to the defense mechanisms against parasites. Many studies have investigated the biological functions of secondary metabolites and reported evidence of antiviral activities. The pandemic emergencies have further increased the interest in finding antiviral agents, and efforts are oriented to investigate possible activities of secondary plant metabolites against human viruses and their potential application in treating or preventing SARS-CoV-2 infection. In this review, we performed a comprehensive analysis of studies through in silico and in vitro investigations, also including in vivo applications and clinical trials, to evaluate the state of knowledge on the antiviral activities of secondary metabolites against human viruses and their potential application in treating or preventing SARS-CoV-2 infection, with a particular focus on natural compounds present in food plants. Although some of the food plant secondary metabolites seem to be useful in the prevention and as a possible therapeutic management against SARS-CoV-2, up to now, no molecules can be used as a potential treatment for COVID-19; however, more research is needed.

show abstract

Section: Natural Phytocompounds With Potential To Inhibit the Coronav...mentioning

confidence: 94%

Food Plant Secondary Metabolites Antiviral Activity and Their Possible Roles in SARS-CoV-2 Treatment: An Overview

2023

View full text Add to dashboard Cite

show abstract

“… 2020 ; Bilginer et al. 2022 ). In this section, the potential natural small-molecule compounds targeting SARS-CoV-2 are summarized ( Figure 2 ).…”

Section: Potential Natural Products Inhibitors Targeting Sars-cov-2mentioning

confidence: 99%

“… 2020 ; Bilginer et al. 2022 ). Quercetin, a plant flavonoid, is widely distributed in vegetables, seeds, leaves, and other plant tissues.…”

Section: Inhibitors Of Sars-cov-2 Replication and Transcriptionmentioning

confidence: 99%

“… Schematic diagram of SARS-CoV-2 inhibitors from plant natural products and TCMs in relation to the viral replication cycle (Bilginer et al. 2022 ). …”

Section: Potential Natural Products Inhibitors Targeting Sars-cov-2mentioning

confidence: 99%

“…According to the results of MD simulations, demethoxycurcumin, oleuropein, zingerol, and gingerol are potential inhibitors of 3CLpro, all of which form hydrogen bonds with the catalytic residues of 3CLpro (Bilginer et al. 2022 ). In addition, as predicted by the MD study, oleuropein inhibits SARS-CoV-2 Nsp15, reduces the virulence of SARS-CoV-2 Nsp15, and improves the immunity of the host (Khaerunnisa et al.…”

Section: Inhibitors Of Sars-cov-2 Replication and Transcriptionmentioning

confidence: 99%

See 2 more Smart Citations

Recent advances towards natural plants as potential inhibitors of SARS-Cov-2 targets

He,

Yuan,

Zhang

et al. 2023

Pharmaceutical Biology

View full text Add to dashboard Cite

Context Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is still ongoing and currently the most striking epidemic disease. With the rapid global spread of SARS-CoV-2 variants, new antivirals are urgently needed to avert a more serious crisis. Inhibitors from traditional medicines or natural plants have shown promising results to fight COVID-19 with different mechanisms of action. Objectives To provide comprehensive and promising approaches to the medical community in the fight against this epidemic by reviewing potential plant-derived anti-SARS-CoV-2 inhibitors. Methods Structural databases such as TCMSP ( http://lsp.nwu.edu.cn/tcmsp.php ), TCM Database @ Taiwan ( http://tcm.cmu.edu.tw/ ), BATMAN-TCM ( http://bionet.ncpsb.org/batman-tcm/ ) and TCMID ( http://www.megabionet.org/tcmid/ ), as well as PubMed, Sci Finder, Research Gate, Science Direct, CNKI, Web of Science and Google Scholar were searched for relevant articles on TCMs and natural products against SARS-CoV-2. Results Seven traditional Chinese medicines formulas have unique advantages in regulating the immune system for treating COVID-19. The plant-derived natural compounds as anti-SARS-CoV-2 inhibitors were identified based on 5 SARS-CoV-2 key proteins, namely, angiotensin-converting enzyme 2 (ACE2), 3 C-like protease (3CLpro), papain-like protease (PLpro), spike (S) protein, and nucleocapsid (N) protein. Conclusions A variety of natural products, such as flavonoids, terpenoids, phenols, and alkaloids, were identified, which could be used as potential SASR-Cov-2 inhibitors. These shed new light on the efficient discovery of SASR-Cov-2 inhibitors from natural products.

show abstract

Formulation of hesperidin‐loaded in situ gel for ocular drug delivery: a comprehensive study

Gözcü,

Polat,

Gültekin

et al. 2024

J Sci Food Agric

Self Cite

View full text Add to dashboard Cite

BackgroundAllergic conjunctivitis is one of the most common eye disorders. Different drugs are used for its treatment. Hesperidin is an active substance isolated from Citrus sinensis L. (Rutaceae) fruit peels, with known anti‐inflammatory activity but low solubility, it was complexed with cyclodextrin and encapsulated in‐situ gel to extend the eye duration.ResultsThe optimized formulation comprised 1% hesperidin, 1.5% hydroxyethyl cellulose, and 16% poloxamer 407. The viscosity at 25°C was 492±82, at 35°C was 8875±248, pH was 7.01±0.03, gelation temperature was 34±1.3°C, and gelation time was 33±1.2 seconds. In vitro release exhibited 66% release within the initial two hours with a burst effect. With LOX inhibition test, it was determined that hesperidin showed activity at high doses on leukotyrens seen in the body in allergic diseases. In cell culture studies, the hesperidin cyclodextrin complex loaded in‐situ gel (Poloxamer 16%, HEC 1.5%) (BRN9‐CD) enhanced cell viability compared to the hesperidin solution. It was determined that BRN9‐CD did not cause any irritation in the ocular tissues in the Draize test.ConclusionThe findings of this study demonstrate the promising potential of the in‐situ gel formulation of hesperidin in terms of ease of application and residence time on the ocular surface. Due to its notable LOX inhibition activity and positive outcomes in the in vivo Draize test, it holds promise for incorporation into pharmaceutical formulations.This article is protected by copyright. All rights reserved.

show abstract

Molecular Docking Study of Several Seconder Metabolites from Medicinal Plants as Potential Inhibitors of COVID-19 Main Protease

Cited by 4 publications

References 55 publications

Food Plant Secondary Metabolites Antiviral Activity and Their Possible Roles in SARS-CoV-2 Treatment: An Overview

Food Plant Secondary Metabolites Antiviral Activity and Their Possible Roles in SARS-CoV-2 Treatment: An Overview

Recent advances towards natural plants as potential inhibitors of SARS-Cov-2 targets

Formulation of hesperidin‐loaded in situ gel for ocular drug delivery: a comprehensive study

Contact Info

Product

Resources

About