ArticleApplied biochemistry and biotechnology2021
Macrolactin A as a Novel Inhibitory Agent for SARS-CoV-2 M
Article in Applied biochemistry and biotechnology, 2021. 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, 41 citations in OpenAlex.
- Design, synthesis and anticancer evaluation of novel hydrazide-2-oxindole analogues as GSK-3β kinase inhibitors.RSC advances · 2025Article
- Unlocking the potential of phytochemicals in inhibiting SARS-CoV-2 MScientific reports · 2025Article
- Macrolactin XY, a Macrolactin Antibiotic from Marine-DerivedMarine drugs · 2024Article
- Enumeration of olive derived lignan, pinoresinol for activity against recent Omicron variant spike protein for structure-based drug design, DFT, molecular dynamics simulations, and MMGBSA studies.Journal of applied genetics · 2024Article
- Piperine Exhibits Potential Antibiofilm Activity Against Pseudomonas aeruginosa by Accumulating Reactive Oxygen Species, Affecting Cell Surface Hydrophobicity and Quorum Sensing.Applied biochemistry and biotechnology · 2023Article
- Effectiveness of Convalescent Plasma Therapy in COVID-19 Patients with Hematological Malignancies: A Systematic Review.Hematology reports · 2022Article
- Pharmacophore model-aided virtual screening combined with comparative molecular docking and molecular dynamics for identification of marine natural products as SARS-CoV-2 papain-like protease inhibitors.Arabian journal of chemistry · 2022Article
- Bioactivity and Pharmacological Potential of Date Palm (Phoenix dactylifera L.) Against Pandemic COVID-19: a Comprehensive Review.Applied biochemistry and biotechnology · 2022Review
- Artificial Neural Network-Based Study Predicts GS-441524 as a Potential Inhibitor of SARS-CoV-2 Activator Protein Furin: a Polypharmacology Approach.Applied biochemistry and biotechnology · 2022Article
- Improvement of macrolactins production by the genetic adaptation of Bacillus siamensis A72 to saline stress via adaptive laboratory evolution.Microbial cell factories · 2022Article
- Detoxification of Aflatoxin B1 by a Potential ProbioticFrontiers in microbiology · 2022Article
- Potent Bioactive Compounds From Seaweed Waste to Combat Cancer Through Bioinformatics Investigation.Frontiers in nutrition · 2022Article
- Screening of potential inhibitors targeting the main protease structure of SARS-CoV-2Frontiers in pharmacology · 2022Article
- Target Specific Inhibition of Protein Tyrosine Kinase in Conjunction With Cancer and SARS-COV-2 by Olive Nutraceuticals.Frontiers in pharmacology · 2021Article
Corrections and comments
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Authors and funding
12 authors at 6 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
COVID-19 is a disease that puts most of the world on lockdown and the search for therapeutic drugs is still ongoing. Therefore, this study used in silico screening to identify natural bioactive compounds from fruits, herbaceous plants, and marine invertebrates that are able to inhibit protease activity in SARS-CoV-2 (PDB: 6LU7). We have used extensive screening strategies such as drug likeliness, antiviral activity value prediction, molecular docking, ADME, molecular dynamics (MD) simulation, and MM/GBSA. A total of 17 compounds were shortlisted using Lipinski's rule in which 5 compounds showed significant predicted antiviral activity values. Among these 5, only 2 compounds, Macrolactin A and Stachyflin, showed good binding energy of -9.22 and -8.00 kcal/mol, respectively, within the binding pocket of the M
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Registered trials
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