Boosting the human antiviral response in conjunction with natural plant products

Frontiers in Natural Products, Journal Year: 2025, Volume and Issue: 3

Published: Jan. 7, 2025

The increasing prevalence of viral infections and the emergence drug-resistant or mutant strains necessitate exploration novel antiviral strategies. Accumulating evidence suggests that natural plant products have significant potential to enhance human response. Various (PNPs) known for their properties been evaluated ability modulate immune responses inhibit infections. Research has focused on understanding mechanisms by which these PNPs interact with system complement existing therapies. control compounds such as alkaloids, flavonoids, terpenoids, polyphenols promote cytokine synthesis, increase T-cell macrophage activity, activate genes. Studies investigated molecular interactions between PNPs, viruses, host cells, exploring combining conventional drugs efficacy. However, several challenges remain, including identifying, characterizing, standardizing PNP extracts, optimizing dosages, improving bioavailability, assessing long-term safety, navigating regulatory approval. promising is being explored develop new, effective, This review outlines a framework an integrative approach connect full in combating health. By treatments, more effective sustainable management diseases can be achieved.

Language: Английский

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Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2

Briefings in Bioinformatics, Journal Year: 2020, Volume and Issue: 22(2), P. 1402 - 1414

Published: Dec. 23, 2020

The new coronavirus (SARS-CoV-2) halts the world economy and caused unbearable medical emergency due to high transmission rate also no effective vaccine drugs has been developed which brought pandemic situations. main protease (Mpro) of SARS-CoV-2 may act as an target for drug development conservation level. Herein, we have employed a rigorous literature review pipeline enlist 3063 compounds from more than 200 plants Asian region. Therefore, virtual screening procedure helps us shortlist total into 19 based on their better binding energy. Moreover, Prime MM-GBSA screened compound dataset further where curcumin, gartanin robinetin had score (-59.439, -52.421 - 47.544) kcal/mol, respectively. top three ligands energy scores most in catalytic groove Cys145, His41, Met165, required protein inhibition. molecular dynamics simulation study confirms docked complex rigidity stability by exploring root mean square deviations, fluctuations, solvent accessible surface area, radius gyration hydrogen bond analysis trajectories. post-molecular interactions similar pockets. Our computational designing approach contribute against SARS-CoV-2.

Language: Английский

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Review on the phytochemistry and toxicological profiles of Aloe vera and Aloe ferox

Future Journal of Pharmaceutical Sciences, Journal Year: 2021, Volume and Issue: 7(1)

Published: July 21, 2021

Abstract Background Aloe vera and ferox have over the years been among most sought-after species in treatment of ailments worldwide. This review provides categorized literature on phytochemical scientifically proven toxicological profiles A. to facilitate their exploitation therapy. Main body abstract Original full-text research articles were searched PubMed, ScienceDirect, Research gate, Google Scholar, Wiley Online Library using specific phrases. Phenolic acids, flavonoids, tannins, anthraquinones main classes present all two species. Most investigations toxicity studies done leaves. contain unique phytoconstituents including anthraquinones, sterols, alkaloids, volatile oils. hydroalcoholic leaf extract showed a toxic effect Kabir chicks at highest doses. The methanolic, aqueous, supercritical carbon dioxide extracts gel associated with no effects. aqueous is well tolerated for short-term management but long-term administration may be organ toxicity. Long-term preparations from leaves roots was Short conclusion beneficial information about phytochemistry potential COVID-19 which up date has definite cure. Clinical trials need carried out clearly understand effects these

Language: Английский

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A Review of Medicinal Plants with Antiviral Activity Available in Bangladesh and Mechanistic Insight Into Their Bioactive Metabolites on SARS-CoV-2, HIV and HBV

Frontiers in Pharmacology, Journal Year: 2021, Volume and Issue: 12

Published: Nov. 8, 2021

Currently, viral infection is the most serious health issue which causing unexpected higher rate of death globally. Many viruses are not yet curable, such as corona virus-2 (SARS-CoV-2), human immunodeficiency virus (HIV), hepatitis virus, papilloma and so others. Furthermore, toxicities ineffective responses to resistant strains synthetic antiviral drugs have reinforced search effective alternative treatment options, plant-derived drug molecules. Therefore, in present review, an attempt has been taken summarize medicinal plants reported for exhibiting activities available Bangladesh along with discussing mechanistic insights into their bioactive components against three hazardous viruses, namely SARS-CoV-2, HIV, HBV. The review covers 46 activity from 25 families. Among 79 compounds having isolated these plants, about 37 them significant varieties viruses. Hesperidin, apigenin, luteolin, seselin, 6-gingerol, humulene epoxide, quercetin, kaempferol, curcumin, epigallocatechin-3-gallate (EGCG) inhibit multiple molecular targets SARS-CoV-2 replication a number silico investigations. Besides, numerous , vitro vivo bioassays demonstrated that EGCG, anolignan-A, B, ajoene, oleanolic acid exhibit anti-HIV while piperine, ursolic acid, (+)-cycloolivil-4′-O-β-d-glucopyranoside, aloin, rosmarinic andrographolide, hesperidin possess anti-HBV activity. Thus, may be considered further advanced investigations aim development affordable drugs.

Language: Английский

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Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

Chemical Reviews, Journal Year: 2022, Volume and Issue: 122(13), P. 11287 - 11368

Published: May 20, 2022

Despite tremendous efforts in the past two years, our understanding of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), virus-host interactions, immune response, virulence, transmission, and evolution is still very limited. This limitation calls for further in-depth investigation. Computational studies have become an indispensable component combating disease 2019 (COVID-19) due to their low cost, efficiency, fact that they are free from safety ethical constraints. Additionally, mechanism governs global transmission SARS-CoV-2 cannot be revealed individual experiments was discovered by integrating genotyping massive viral sequences, biophysical modeling protein-protein deep mutational data, learning, advanced mathematics. There exists a tsunami literature on molecular modeling, simulations, predictions related developments drugs, vaccines, antibodies, diagnostics. To provide readers with quick update about this literature, we present comprehensive systematic methodology-centered review. Aspects such as biophysics, bioinformatics, cheminformatics, machine mathematics discussed. review will beneficial researchers who looking ways contribute those interested status field.

Language: Английский

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Aloe vera: From ancient knowledge to the patent and innovation landscape – A review

South African Journal of Botany, Journal Year: 2022, Volume and Issue: 147, P. 993 - 1006

Published: March 1, 2022

Aloe vera is one of the oldest and most traditional medicinal plant in history, with its use dating back over a thousand years. Today, biological activity not limited to curative purposes. The expansion A. industry became evident during 90′s, when development this crop began emerge due global demand from consumers more concerned healthy lifestyle. Considering agro-industrial economic relevance that has acquired, work reviewed chemical, biological, nutritional characteristics, processing methods, innovations, industrial applications. contain than 75 bioactive compounds, among them relevant are polysaccharides, phenolics, phytosterols. Additionally, main technologies for leaves described, including those used obtain pressed filleted gel, whole leaf gel manual gel. This article shows applications pharmaceutical, cosmetic food industries presented world landscape million-dollar market generated around product, which 2018 was $1.60 billion. as natural functional ingredient or fortifier products animal vegetable origin been trend explored last Finally, through an in-depth analysis patents research articles, current scenario science innovation developed described.

Language: Английский

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In Silico ADME/T Properties of Quinine Derivatives using SwissADME and pkCSM Webservers

International Journal of TROPICAL DISEASE & Health, Journal Year: 2021, Volume and Issue: unknown, P. 1 - 12

Published: Aug. 3, 2021

Aim: Malaria is among the most devastating and widespread tropical parasitic diseases. To overcome antimalarial drug resistance, new drugs need to be developed. This study designed establish pharmacokinetic profile toxicity of nine quinine derivatives as potential using in silico approaches by SwissADME pkCSM. Methodology: The structures investigated compounds were translated into canonical SMILES format then submitted web tool that gives free access physicochemical properties, pharmacokinetics, drug-likeness medicinal chemistry friendliness compounds, pkCSM webserver for predicting optimizing properties. Results: mainly used predict properties their revealed all have good bioavailability satisfied Lipinski’s rule five. results on absorption, distribution, metabolism, excretion show a they are safe since belong class 4 Globally Harmonized System (300 < Category ≤ 2000 mg/kg/day). Conclusion: Drug-likeness ADME/T predictions candidates oral formulation thus can broader context overcoming development resistance Plasmodium protozoans against currently treat malaria. As future prospects, further studies bioevaluation needed elucidate pharmacological activities.

Language: Английский

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New opportunities and perspectives on biosynthesis and bioactivities of secondary metabolites from Aloe vera

Biotechnology Advances, Journal Year: 2024, Volume and Issue: 72, P. 108325 - 108325

Published: Feb. 21, 2024

Language: Английский

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Identification of potential inhibitors of SARS-CoV-2 papain-like protease from tropane alkaloids from Schizanthus porrigens: A molecular docking study

Chemical Physics Letters, Journal Year: 2020, Volume and Issue: 761, P. 138068 - 138068

Published: Oct. 7, 2020

Language: Английский

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Identification of Potential SARS-CoV-2 Main Protease and Spike Protein Inhibitors from the Genus Aloe: An In Silico Study for Drug Development

Molecules, Journal Year: 2021, Volume and Issue: 26(6), P. 1767 - 1767

Published: March 21, 2021

Severe acute respiratory syndrome coronavirus (SARS-CoV-2) disease is a global rapidly spreading virus showing very high rates of complications and mortality. Till now, there no effective specific treatment for the disease. Aloe rich source isolated phytoconstituents that have an enormous range biological activities. Since are available experimental techniques to examine these compounds antiviral activity against SARS-CoV-2, we employed in silico approach involving molecular docking, dynamics simulation, binding free energy calculation using SARS-CoV-2 essential proteins as main protease spike protein identify lead from may help novel drug discovery. Results retrieved docking simulation suggested number promising inhibitors Aloe. Root mean square deviation (RMSD) root fluctuation (RMSF) calculations indicated 132, 134, 159 were best scoring protease, while 115, 120, 131 ones glycoprotein. Compounds 120 able achieve significant stability energies during simulation. In addition, highest investigated their pharmacokinetic properties drug-likeness. The active development SARS-CoV-2.

Language: Английский

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