ArticleJournal of biomolecular structure & dynamics2021
Article in Journal of biomolecular structure & dynamics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 47 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
47 citing papers in PubMed, 110 citations in OpenAlex.
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- Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation.BMC complementary medicine and therapies · 2025Article
- Identification of DDR1 Inhibitors from Marine Compound Library Based on Pharmacophore Model and Scaffold Hopping.International journal of molecular sciences · 2025Article
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- Targeting the receptor binding domain and heparan sulfate binding for antiviral drug development against SARS-CoV-2 variants.Scientific reports · 2024Article
- In silico molecular interaction analysis of phytochemicals extracted fromIn silico pharmacology · 2024Article
- Study of andrographolide bioactivity againstFrontiers in chemistry · 2024Article
- Aloe-emodin: Progress in Pharmacological Activity, Safety, and Pharmaceutical Formulation Applications.Mini reviews in medicinal chemistry · 2024Review
- AI-driven drug repurposing and binding pose meta dynamics identifies novel targets for monkeypox virus.Journal of infection and public health · 2023Article
- Isolation and Characterization of an Unknown Process-Related Impurity in Furosemide and Validation of a New HPLC Method.Molecules (Basel, Switzerland) · 2023Article
- The SARS-CoV-2 nucleocapsid protein: its role in the viral life cycle, structure and functions, and use as a potential target in the development of vaccines and diagnostics.Virology journal · 2023Review
- Computational studies of potential antiviral compounds from some selected Nigerian medicinal plants against SARS-CoV-2 proteins.Informatics in medicine unlocked · 2023Article
- Fighting cytokine storm and immunomodulatory deficiency: By using natural products therapy up to now.Frontiers in pharmacology · 2023Review
- In Vitro and In Silico Studies for the Identification of Potent Metabolites of Some High-Altitude Medicinal Plants from Nepal Inhibiting SARS-CoV-2 Spike Protein.Molecules (Basel, Switzerland) · 2022Article
- Methodology of network pharmacology for research on Chinese herbal medicine against COVID-19: A review.Journal of integrative medicine · 2022Review
- Phytochemistry, Bioactivities of Metabolites, and Traditional Uses ofMolecules (Basel, Switzerland) · 2022Review
- Antibacterial Potential ofMolecules (Basel, Switzerland) · 2022Article
- Multifaceted roles of plant derived small molecule inhibitors on replication cycle of SARS-CoV-2.Microbial pathogenesis · 2022Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors at 5 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Currently, there is no specific treatment to cure COVID-19. Many medicinal plants have antiviral, antioxidant, antibacterial, antifungal, anticancer, wound healing etc. Therefore, the aim of the current study was to screen for potent inhibitors of N-terminal domain (NTD) of nucleocapsid phosphoprotein of SARS-CoV-2. The structure of NTD of RNA binding domain of nucleocapsid phosphoprotein of SARS coronavirus 2 was retrieved from the Protein Data Bank (PDB 6VYO) and the structures of 100 different phytocompounds were retrieved from Pubchem. The receptor protein and ligands were prepared using Schrodinger's Protein Preparation Wizard. Molecular docking was done by using the Schrodinger's maestro 12.0 software. Drug likeness and toxicity of active phytocompounds was predicted by using Swiss adme, admetSAR and protox II online servers. Molecular dynamic simulation of the best three protein- ligand complexes (alizarin, aloe-emodin and anthrarufin) was performed to study the interaction stability. We have identified three potential active sites (named as A, B, C) on receptor protein for efficient binding of the phytocompounds. We found that, among 100 phytocompounds, emodin, aloe-emodin, anthrarufin, alizarine, and dantron of
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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.