ArticleSaudi journal of biological sciences2022
Article in Saudi journal of biological sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 38 citations in OpenAlex.
- Therapeutic Antitoxoplasmosis Potential ofJournal of tropical medicine · 2026Article
- Waste valorization utilizing green nanotechnology: a sustainable approach for pomegranate peel agro wastes in skincare formulations.Bioresources and bioprocessing · 2025Review
- Design and in Silico evaluation of 3',4'-Dimethoxy flavonol as promising SARS-CoV-2 main protease (MIn silico pharmacology · 2025Article
- Article
- DFT Investigations and Molecular Docking as Potent Inhibitors of SARS-CoV-2 Main Protease of Novel Pyrimidine Dione Derivatives.Biochemistry research international · 2025Article
- Phytoconstituents of Artemisia Annua as potential inhibitors of SARS CoV2 main protease: an in silico study.BMC infectious diseases · 2024Article
- Berberine modulates cardiovascular diseases as a multitarget-mediated alkaloid with insights into its downstream signals usingSaudi journal of biological sciences · 2024Article
- Plant-Derived Natural Compounds as an Emerging Antiviral in Combating COVID-19.Indian journal of microbiology · 2023Review
- Exploring the inhibitory potential of novel piperidine-derivatives against main protease (MJournal of molecular liquids · 2023Article
- A Comprehensive Update of Various Attempts by Medicinal Chemists to Combat COVID-19 through Natural Products.Molecules (Basel, Switzerland) · 2023Review
- DFT investigations and molecular docking as potent inhibitors of SARS-CoV-2 main protease of 4-phenylpyrimidine.Journal of molecular structure · 2023Article
- Efficacy of Kan JangPharmaceuticals (Basel, Switzerland) · 2022Article
- Synthesis, crystal structure andRSC advances · 2022Article
Corrections and comments
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Authors and funding
10 authors at 5 institutions in 4 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundThe ongoing global outbreak of new corona virus (SARS-CoV-2) has been recognized as global public health concern since it causes high morbidity and mortality every day. Due to the rapid spreading and re-emerging, we need to find a potent drug against SARS-CoV-2. Synthetic drugs, such as hydroxychloroquine, remdisivir have paid more attention and the effects of these drugs are still under investigation, due to their severe side effects. Therefore, the aim of the present study was performed to identify the potential inhibitor against main protease SARS-CoV-2 6LU7.
objectiveIn this study, RO5, ADME properties, molecular dynamic simulations and free binding energy prediction were mainly investigated.
resultsThe molecular docking study findings revealed that andrographolide had higher binding affinity among the selected natural diterpenoids compared to co-crystal native ligand inhibitor N3. The persistent inhibition of Ki for diterpenoids was analogous. Furthermore, the simulations of molecular dynamics and free binding energy findings have shown that andrographolide possesses a large amount of dynamic properties such as stability, flexibility and binding energy.
conclusionIn conclusion, findings of the current study suggest that selected diterpenoids were predicted to be the significant phytonutrient-based inhibitor against SARS-CoV-2 6LU7 (M
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