ArticleAdvances in virology2015
Evaluating Andrographolide as a Potent Inhibitor of NS3-4A Protease and Its Drug-Resistant Mutants Using In Silico Approaches.
Article in Advances in virology, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 38 citations in OpenAlex.
- Efficacy and safety of Xiyanping injection in the treatment of COVID-19: A multicenter, prospective, open-label and randomized controlled trial.Phytotherapy research : PTR · 2021Trial
- Deciphering the therapeutic effects of Xiyanping injection: insights into pulmonary and gut microbiome modulation, SerpinB2/PAI-2 targeting, and alleviation of influenza a virus-induced lung injury.Virology journal · 2025Article
- Inhibitory efficiency of Andrographis paniculata extract on viral multiplication and nitric oxide production.Scientific reports · 2023Article
- A Reappraisal of the Antiviral Properties of and Immune Regulation through Dietary Phytochemicals.ACS pharmacology & translational science · 2023Review
- Efficacy and Safety of Add-On Plant-Based Drugs for COVID-19 Patients: A Review of the Randomized Control Trials.Infection and drug resistance · 2023Review
- A Comprehensive Review ofMolecules (Basel, Switzerland) · 2022Review
- Targeting non-structural proteins of Hepatitis C virus for predicting repurposed drugs using QSAR and machine learning approaches.Computational and structural biotechnology journal · 2022Article
- Computational investigation onJournal of biomolecular structure & dynamics · 2021Article
- Formulation and evaluation of rutin-loaded solid lipid nanoparticles for the treatment of brain tumor.Naunyn-Schmiedeberg's archives of pharmacology · 2021Article
- Crosstalk between endoplasmic reticulum stress and anti-viral activities: A novel therapeutic target for COVID-19.Life sciences · 2020Review
- Design, synthesis and discovery of andrographolide derivatives against Zika virus infection.European journal of medicinal chemistry · 2020Article
- Hepatitis C: From inflammatory pathogenesis to anti-inflammatory/hepatoprotective therapy.World journal of gastroenterology · 2018Review
- In-silico design and molecular docking evaluation of peptides derivatives from bacteriocins and porcine beta defensin-2 as inhibitors of Hepatitis E virus capsid protein.Virusdisease · 2017Article
- Prediction of deleterious single nucleotide polymorphisms and their effect on the sequence and structure of the humanJournal of Taibah University Medical Sciences · 2017Article
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Authors and funding
5 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Current combination therapy of PEG-INF and ribavirin against the Hepatitis C Virus (HCV) genotype-1 infections is ineffective in maintaining sustained viral response in 50% of the infection cases. New compounds in the form of protease inhibitors can complement the combination therapy. Asunaprevir is new to the drug regiment as the NS3-4A protease inhibitor, but it is susceptible to two mutations, namely, R155K and D168A in the protein. Thus, in our study, we sought to evaluate Andrographolide, a labdane-diterpenoid from the Andrographis paniculata plant as an effective compound for inhibiting the NS3-4A protease as well as its concomitant drug-resistant mutants by using molecular docking and dynamic simulations. Our study shows that Andrographolide has best docking scores of -15.0862, -15.2322, and -13.9072 compared to those of Asunaprevir -3.7159, -2.6431, and -5.4149 with wild-type R155K and D168A mutants, respectively. Also, as shown in the MD simulations, the compound was good in binding the target proteins and maintains strong bonds causing very less to negligible perturbation in the protein backbone structures. Our results validate the susceptibility of Asunaprevir to protein variants as seen from our docking studies and trajectory period analysis. Therefore, from our study, we hope to add one more option in the drug regiment to tackle drug resistance in HCV infections.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.