Antiviral phytochemicals identification from <i>Azadirachta indica</i> leaves against HCV NS3 protease: an in silico approach

Ashfaq, Usman Ali; Jalil, Asma; Qamar, Muhammad Tahir ul

doi:10.1080/14786419.2015.1075527

Cited by 39 publications

(20 citation statements)

References 7 publications

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“…Extracts of Phyllanthus amarus and Terminalia arjuna, 24 Fructus Ligustri Lucidi and Aeginetiaindica have been shown to exert their anti-HCV effects through inhibition of the NS5B polymerase. 32, 33 In addition, the NS3/4A protease, NS4A and NS5A protein have been verified as the anti-HCV targets of Azadirachta indica leaves, 34 Piper cubeba, Q. infectoria, Syzygium aromaticum, 23 Magnolia officinalis (Hou-Pu), 30 Spatholobus suberectus and seeds of Silybum marianum, 28,35 respectively.…”

Section: Ns Protein Inhibitionmentioning

confidence: 99%

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Herbal Medicines for Hepatitis C Virus Infection: The Exploratory Journey from Bench to Bedside Still Has a Long Way to Go

Xiao-ya¹,

Zhang²,

Xie³

et al. 2019

Journal of Exploratory Research in Pharmacology

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Hepatitis C virus (HCV) infects at least 150 million people chronically worldwide. It is a major risk factor for cirrhosis, hepatocellular carcinoma, and death. Direct-acting antiviral therapy is very efficacious in treating HCV infection but it is inaccessible and unavailable in some developing countries. Therefore, searching for more effective and easily accessible regimens remains an urgent need. The aim of this article is to review the anti-HCV effects of herbal medicines from experimental to clinical evidence, and discuss current issues, hurdles and future perspectives for their application from bench to bedside. Numerous in vitro studies have indicated that many herbs work effectively in exerting anti-HCV activities. Yet, only a few animal experiments have been conducted that demonstrate the anti-HCV effects of these medicines; in addition, these results do not show an ability to eliminate the virus completely from the infected animals. Thus far, clinical trials have produced inconclusive anti-HCV results in terms of efficacy and safety, presumably due to the lack of the quality of methodologies used in the trials. In conclusion, despite apparent anti-HCV activities in vitro, clinical efficacy and safety of herbal medicines for the treatment of HCV infection have not been revealed convincingly. More animal studies using ideal models and more well-designed clinical trials with a larger sample sizes and longer treatment periods, taking the body habitus into consideration, are required to further assess the efficacy and safety of herbal medicines for HCV infection.

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Section: Ns Protein Inhibitionmentioning

confidence: 99%

“…Although a number of in vitro studies have been conducted for Qian et al 34 used the transgenic ICR mice harboring human SRB1, CD81, CLDN1 and OCLN genes to investigate the anti-HCV effects of schizandronic acid, which had been extracted from fruits of Schisandra sphenanthera Rehd. et Wils.…”

Section: Animal Experimentsmentioning

confidence: 99%

Herbal Medicines for Hepatitis C Virus Infection: The Exploratory Journey from Bench to Bedside Still Has a Long Way to Go

Xiao-ya¹,

Zhang²,

Xie³

et al. 2019

Journal of Exploratory Research in Pharmacology

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show abstract

“…Hepatitis C virus (HCV) is a serious public health concern and a major cause of chronic liver disease [1]. HCV is responsible for hepatitis C, human lymphoma, and liver cancer (hepatocellular carcinoma) [2]. HCV is a member of the family Flaviviridae (genus Hepacivirus).…”

Section: Introductionmentioning

confidence: 99%

“…Genome sequence analysis showed eight major genotypes of HCV (1)(2)(3)(4)(5)(6)(7)(8) [10,11]. Genotype characterization is not only limited to the type of therapy needed for clearance of the virus but also suggests the level and risk of disease progression [12].…”

Section: Introductionmentioning

confidence: 99%

Immuno-Informatics Analysis of Pakistan-Based HCV Subtype-3a for Chimeric Polypeptide Vaccine Design

et al. 2021

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Hepatitis C virus (HCV) causes chronic and acute hepatitis infections. As there is extreme variability in the HCV genome, no approved HCV vaccine has been available so far. An effective polypeptide vaccine based on the functionally conserved epitopes will be greatly helpful in curing disease. For this purpose, an immuno-informatics study is performed based on the published HCV subtype-3a from Pakistan. First, the virus genome was translated to a polyprotein followed by a subsequent prediction of T-cell epitopes. Non-allergenic, IFN-γ producer, and antigenic epitopes were shortlisted, including 5 HTL epitopes and 4 CTL, which were linked to the final vaccine by GPGPG and AAY linkers, respectively. Beta defensin was included as an adjuvant through the EAAAK linker to improve the immunogenicity of the polypeptide. To ensure its safety and immunogenicity profile, antigenicity, allergenicity, and various physiochemical attributes of the polypeptide were evaluated. Molecular docking was conducted between TLR4 and vaccine to evaluate the binding affinity and molecular interactions. For stability assessment and binding of the vaccine-TLR4 docked complex, molecular dynamics (MD) simulation and MMGBSA binding free-energy analyses were conducted. Finally, the candidate vaccine was cloned in silico to ensure its effectiveness. The current vaccine requires future experimental confirmation to validate its effectiveness. The vaccine construct produced might be useful in providing immune protection against HCV-related infections.

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“…Polyphenolic compounds, flavonoids, chalcones, and other phenolics were the common docking ligands for dengue virus protein targets such as protease (NS2B-NS3pro), helicase (NS3 helicase), methyltransferase (MTase), RNA-dependent RNA polymerase (RdRp), and the dengue virus envelope protein [6]. Deacetyl-3-cinnamoyl-azadirachtin from Azadirachta indica inhibited NS3/4A protease of HCV [7].…”

Section: Introductionmentioning

confidence: 99%

Anti-Dengue, Cytotoxicity, Antifungal, and In Silico Study of the Newly Synthesized 3-O-Phospo-α-D-Glucopyranuronic Acid Compound

Abu-Izneid

Bawazeer

Wadood

et al. 2018

BioMed Research International

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The aim of the current study was to synthesize new bioactive compounds and evaluate their therapeutic relevance. The chemical structure of compound 7 (methyl 3-O-phospo-α-D-glucopyranuronic acid was elucidated by physical and advance spectral technique. Also, this compound was assessed for various in vitro biological screening. The results showed that compound 7 has promising antifungal activity against selected fungal strains. Computational study was also carried out to find antimalarial efficacy of the synthesized compounds. Compounds (2-7) were tested for cytotoxicity by MTT assay, and no considerable cytotoxicity was observed. Molecular docking study was performed to predict the binding modes of new compound (7). The docking results revealed that the compound has strong attraction towards the target protein, as characterized by good bonding networks. On the basis of the acquired results, it can be predicted that compound (7) might show good inhibitory activity against dengue envelope protein.

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Antiviral phytochemicals identification from Azadirachta indica leaves against HCV NS3 protease: an in silico approach

Cited by 39 publications

References 7 publications

Herbal Medicines for Hepatitis C Virus Infection: The Exploratory Journey from Bench to Bedside Still Has a Long Way to Go

Herbal Medicines for Hepatitis C Virus Infection: The Exploratory Journey from Bench to Bedside Still Has a Long Way to Go

Immuno-Informatics Analysis of Pakistan-Based HCV Subtype-3a for Chimeric Polypeptide Vaccine Design

Anti-Dengue, Cytotoxicity, Antifungal, and In Silico Study of the Newly Synthesized 3-O-Phospo-α-D-Glucopyranuronic Acid Compound

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