Stilbene-based natural compounds as promising drug candidates against COVID-19

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Summary: The study identified potential protease inhibitors against SARS-CoV-2 using computational approaches, screening compounds from various databases and conducting docking and molecular dynamics simulations to find promising drugs.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

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Review Biochemistry & Molecular Biology

A review on the cleavage priming of the spike protein on coronavirus by angiotensin-converting enzyme-2 and furin

Anwarul Hasan et al.

Summary: This review discusses the interactions between the novel coronavirus SARS-CoV-2 and human cells, highlighting the role of important receptors like ACE-2 and furin in the virus invasion. It explores the potential inhibitory effects of compounds on the virus, as well as future prospects for drug development.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

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Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

I. Aanouz et al.

Summary: The new coronavirus, known as SARS-CoV-2, first appeared in Wuhan, China. Research is being done on natural herbal remedies, with three molecules showing potential as inhibitors against the coronavirus.

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Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

Subramanian Boopathi et al.

Summary: The world has faced several infectious disease outbreaks in the past two decades, with the novel coronavirus 2019 having a significant global impact. With millions infected and thousands dead, only a few Asian countries have managed to control the disease, but a second wave of infections is expected. Predicting inhibitors and targets for COVID-19 is urgent, with computer-aided drug design playing a crucial role in this process.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

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Letter Biochemistry & Molecular Biology

Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19

Nisha Muralidharan et al.

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Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes

Ammar D. Elmezayen et al.

Summary: This study attempted to identify commercially available drugs for repurposing against coronavirus through structure-based virtual screening, successfully finding multiple potential inhibitors. The 3D structure of TMPRSS2 was generated using homology modeling, and promising inhibitors were identified through docking studies. ADMET profiles showed that the compounds discovered in the study are safe and drug-like.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

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Article Biochemistry & Molecular Biology

Reverse vaccinology approach to design a novel multi-epitope vaccine candidate against COVID-19: an in silico study

Maryam Enayatkhani et al.

Summary: This study utilized bioinformatics approaches to design a novel multi-epitope vaccine against the novel Coronavirus, potentially triggering multiple immune responses. Computational tools were used to validate the biological activities of the vaccine, predict the binding of the protein candidate with Toll-like receptor 4 and HLA-A*11:01, and molecular dynamics simulation was employed to evaluate the stability of the designed fusion protein with the receptors.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

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Article Biochemistry & Molecular Biology

In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain)

Phulen Sarma et al.

Summary: This study targeted the RNA-binding N terminal domain of the N protein of coronavirus to identify possible inhibitors of RNA binding. Theophylline and pyrimidone derivatives were identified as potential inhibitors, opening up new avenues for in vitro validations of their RNA binding inhibition capabilities.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

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Article Nutrition & Dietetics

The Resveratrol Rice DJ526 Callus Significantly Increases the Lifespan of Drosophila (Resveratrol Rice DJ526 Callus for Longevity)

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BMB REPORTS (2018)

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Anti-hyperlipidemic and anti-peroxidative role of pterostilbene via Nrf2 signaling in experimental diabetes

Elango Bhakkiyalakshmi et al.

EUROPEAN JOURNAL OF PHARMACOLOGY (2016)

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NATURE REVIEWS MOLECULAR CELL BIOLOGY (2016)

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Review Oncology

Therapeutic Potential of Resveratrol in Lymphoid Malignancies

Omar S. Khan et al.

NUTRITION AND CANCER-AN INTERNATIONAL JOURNAL (2016)

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Resveratrol: How Much Wine Do You Have to Drink to Stay Healthy?

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ADVANCES IN NUTRITION (2016)

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Article Virology

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VIRUS RESEARCH (2015)

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Receptor Recognition Mechanisms of Coronaviruses: a Decade of Structural Studies

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Article Chemistry, Medicinal

Chemistry, Stability and Bioavailability of Resveratrol

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MEDICINAL CHEMISTRY (2014)

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Article Microbiology

Middle East Respiratory Syndrome Coronavirus Infection in Dromedary Camels in Saudi Arabia

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mBio (2014)

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Resveratrol and related stilbenes: Their anti-aging and anti-angiogenic properties

Konstantinos M. Kasiotis et al.

FOOD AND CHEMICAL TOXICOLOGY (2013)

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PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

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Pinosylvin Induces Cell Survival, Migration and Anti-Adhesiveness of Endothelial Cells via Nitric Oxide Production

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PHYTOTHERAPY RESEARCH (2013)

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Article Multidisciplinary Sciences

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Trevor Scobey et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)

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MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

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Review Biotechnology & Applied Microbiology

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Article Medicine, General & Internal

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NEW ENGLAND JOURNAL OF MEDICINE (2012)

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LigPlot+: Multiple Ligand-Protein Interaction Diagrams for Drug Discovery

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Resveratrol decreases the levels of miR-155 by upregulating miR-663, a microRNA targeting JunB and JunD

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Antioxidant properties of resveratrol: A structure-activity insight

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INNOVATIVE FOOD SCIENCE & EMERGING TECHNOLOGIES (2010)

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Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading

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JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)

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Inhibitory Effects of Resveratrol on the Epstein-Barr Virus Lytic Cycle

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MOLECULES (2010)

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Article Oncology

Anti-inflammatory Action of Pterostilbene Is Mediated through the p38 Mitogen-Activated Protein Kinase Pathway in Colon Cancer Cells

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CANCER PREVENTION RESEARCH (2009)

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Article Chemistry, Multidisciplinary

AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility

Garrett M. Morris et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)

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Structural analysis of major species barriers between humans and palm civets for severe acute respiratory syndrome coronavirus infections

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JOURNAL OF VIROLOGY (2008)

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Antioxidant prooxidant and cytotoxic activity of hydroxylated resveratrol analogues:: structure-activity relationship

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Stilbene-based natural compounds as promising drug candidates against COVID-19

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