In silico identification of SARS-CoV-2 cell entry inhibitors from selected natural antivirals
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Title
In silico identification of SARS-CoV-2 cell entry inhibitors from selected natural antivirals
Authors
Keywords
SARS-CoV-2, Antivirals, Spike protein, Neuropilin, ACE2, Molecular docking, Molecular dynamics simulation
Journal
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
Volume 109, Issue -, Pages 108038
Publisher
Elsevier BV
Online
2021-09-29
DOI
10.1016/j.jmgm.2021.108038
References
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Note: Only part of the references are listed.- Fusion mechanism of 2019-nCoV and fusion inhibitors targeting HR1 domain in spike protein
- (2020) Shuai Xia et al. Cellular & Molecular Immunology
- Arguments in favor of remdesivir for treating SARS-CoV-2 infections
- (2020) Wen-Chien Ko et al. INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS
- A Systematic Review of Lopinavir Therapy for SARS Coronavirus and MERS Coronavirus–A Possible Reference for Coronavirus Disease‐19 Treatment Option
- (2020) Tian‐Tian Yao et al. JOURNAL OF MEDICAL VIROLOGY
- Mechanisms of action of hydroxychloroquine and chloroquine: implications for rheumatology
- (2020) Eva Schrezenmeier et al. Nature Reviews Rheumatology
- First Case of 2019 Novel Coronavirus in the United States
- (2020) Michelle L. Holshue et al. NEW ENGLAND JOURNAL OF MEDICINE
- Quercetin blocks Ebola Virus infection by counteracting the VP24 Interferon inhibitory function
- (2020) Elisa Fanunza et al. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
- Spike protein recognition of mammalian ACE2 predicts the host range and an optimized ACE2 for SARS-CoV-2 infection
- (2020) Junwen Luan et al. BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
- Why Are Lopinavir and Ritonavir Effective against the Newly Emerged Coronavirus 2019? Atomistic Insights into the Inhibitory Mechanisms
- (2020) Bodee Nutho et al. BIOCHEMISTRY
- Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein
- (2020) Alexandra C. Walls et al. CELL
- Hydroxychloroquine and azithromycin as a treatment of COVID-19: results of an open-label non-randomized clinical trial
- (2020) Philippe Gautret et al. INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS
- Pharmacologic Treatments for Coronavirus Disease 2019 (COVID-19)
- (2020) James M. Sanders et al. JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION
- Novel coronavirus treatment with ribavirin: Groundwork for an evaluation concerning COVID-19
- (2020) Jahan S. Khalili et al. JOURNAL OF MEDICAL VIROLOGY
- Remdesivir in adults with severe COVID-19: a randomised, double-blind, placebo-controlled, multicentre trial
- (2020) Yeming Wang et al. LANCET
- Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor
- (2020) Jun Lan et al. NATURE
- A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
- (2020) David E. Gordon et al. NATURE
- Remdesivir for the Treatment of Covid-19 — Preliminary Report
- (2020) John H. Beigel et al. NEW ENGLAND JOURNAL OF MEDICINE
- A Trial of Lopinavir–Ritonavir in Adults Hospitalized with Severe Covid-19
- (2020) Bin Cao et al. NEW ENGLAND JOURNAL OF MEDICINE
- Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir
- (2020) Wanchao Yin et al. SCIENCE
- Low dose of hydroxychloroquine reduces fatality of critically ill patients with COVID-19
- (2020) Bo Yu et al. Science China-Life Sciences
- A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease
- (2020) Donald C. Hall et al. Travel Medicine and Infectious Disease
- Clinical efficacy of hydroxychloroquine in patients with covid-19 pneumonia who require oxygen: observational comparative study using routine care data
- (2020) Matthieu Mahévas et al. BMJ-British Medical Journal
- Assessment of QT Intervals in a Case Series of Patients With Coronavirus Disease 2019 (COVID-19) Infection Treated With Hydroxychloroquine Alone or in Combination With Azithromycin in an Intensive Care Unit
- (2020) Francis Bessière et al. JAMA Cardiology
- Experimental Treatment with Favipiravir for COVID-19: An Open-Label Control Study
- (2020) Qingxian Cai et al. Engineering
- De novo design of protein peptides to block association of the SARS-CoV-2 spike protein with human ACE2
- (2020) Xiaoqiang Huang et al. Aging-US
- Testing of natural products in clinical trials targeting the SARS-CoV-2 (Covid-19) viral spike protein-angiotensin converting enzyme-2 (ACE2) interaction
- (2020) Gary Williamson et al. BIOCHEMICAL PHARMACOLOGY
- The genetic sequence, origin, and diagnosis of SARS-CoV-2
- (2020) Huihui Wang et al. EUROPEAN JOURNAL OF CLINICAL MICROBIOLOGY & INFECTIOUS DISEASES
- Structural stability of SARS-CoV-2 3CLpro and identification of quercetin as an inhibitor by experimental screening
- (2020) Olga Abian et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Does lopinavir really inhibit SARS-CoV-2?
- (2020) Dario Cattaneo et al. PHARMACOLOGICAL RESEARCH
- A review of therapeutic agents and Chinese herbal medicines against SARS-COV-2 (COVID-19)
- (2020) Fangfang Huang et al. PHARMACOLOGICAL RESEARCH
- Structural analysis of the SARS-CoV-2 methyltransferase complex involved in RNA cap creation bound to sinefungin
- (2020) Petra Krafcikova et al. Nature Communications
- Remdesivir Inhibits SARS-CoV-2 in Human Lung Cells and Chimeric SARS-CoV Expressing the SARS-CoV-2 RNA Polymerase in Mice
- (2020) Andrea J. Pruijssers et al. Cell Reports
- Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in silico Structure-Based Virtual Screening Approach
- (2020) Shweta Choudhary et al. Frontiers in Immunology
- Clinical efficacy of antivirals against novel coronavirus (COVID-19): A review
- (2020) Shahamah Jomah et al. Journal of Infection and Public Health
- Effect of High vs Low Doses of Chloroquine Diphosphate as Adjunctive Therapy for Patients Hospitalized With Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Infection
- (2020) Mayla Gabriela Silva Borba et al. JAMA Network Open
- Efficacy of Remdesivir in COVID-19
- (2020) Erin K. McCreary et al. JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION
- Identification of a repurposed drug as an inhibitor of Spike protein of human coronavirus SARS-CoV-2 by computational methods
- (2020) Sruthi Unni et al. JOURNAL OF BIOSCIENCES
- Lopinavir–ritonavir in patients admitted to hospital with COVID-19 (RECOVERY): a randomised, controlled, open-label, platform trial
- (2020) Peter W Horby et al. LANCET
- Assessment of the efficacy and safety of Ribavirin in treatment of coronavirus-related pneumonia (SARS, MERS and COVID-19)
- (2020) Yinhua Wang et al. MEDICINE
- Glycyrrhizic acid exerts inhibitory activity against the spike protein of SARS-CoV-2
- (2020) Shaopeng Yu et al. PHYTOMEDICINE
- Neuropilin-1 is a host factor for SARS-CoV-2 infection
- (2020) James L. Daly et al. SCIENCE
- Neuropilin-1 facilitates SARS-CoV-2 cell entry and infectivity
- (2020) Ludovico Cantuti-Castelvetri et al. SCIENCE
- Potential compound from herbal food of rhizoma polygonati for treatment of COVID-19 analyzed by network pharmacology and molecular docking technology
- (2020) Chenglin Mu et al. Journal of Functional Foods
- Computational selection of flavonoid compounds as inhibitors against SARS-CoV-2 main protease, RNA-dependent RNA polymerase and spike proteins: A molecular docking study
- (2020) Marimuthu Ragavan Rameshkumar et al. SAUDI JOURNAL OF BIOLOGICAL SCIENCES
- Quercetin as a Natural Therapeutic Candidate for the Treatment of Influenza Virus
- (2020) Parvaneh Mehrbod et al. Biomolecules
- Network pharmacology, molecular docking integrated surface plasmon resonance technology reveals the mechanism of Toujie Quwen Granules against coronavirus disease 2019 pneumonia
- (2020) Miaobo Ye et al. PHYTOMEDICINE
- Broad spectrum antiviral remdesivir inhibits human endemic and zoonotic deltacoronaviruses with a highly divergent RNA dependent RNA polymerase
- (2019) Ariane J. Brown et al. ANTIVIRAL RESEARCH
- Characteristics of flavonoids as potent MERS‐CoV 3C‐like protease inhibitors
- (2019) Seri Jo et al. Chemical Biology & Drug Design
- High quality of life, treatment tolerability, safety and efficacy in HIV patients switching from triple therapy to lopinavir/ritonavir monotherapy: A randomized clinical trial
- (2018) Juan Pasquau et al. PLoS One
- Clinical outcomes of current medical approaches for Middle East respiratory syndrome: A systematic review and meta-analysis
- (2018) Mostafa Ebraheem Morra et al. REVIEWS IN MEDICAL VIROLOGY
- Improved Oral Absorption of Quercetin from Quercetin Phytosome®, a New Delivery System Based on Food Grade Lecithin
- (2018) Antonella Riva et al. EUROPEAN JOURNAL OF DRUG METABOLISM AND PHARMACOKINETICS
- Broad-spectrum antiviral GS-5734 inhibits both epidemic and zoonotic coronaviruses
- (2017) Timothy P. Sheahan et al. Science Translational Medicine
- Regulation of protein-ligand binding affinity by hydrogen bond pairing
- (2016) D. Chen et al. Science Advances
- OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
- (2015) Edward Harder et al. Journal of Chemical Theory and Computation
- Quercetin as an Antiviral Agent Inhibits Influenza A Virus (IAV) Entry
- (2015) Wenjiao Wu et al. Viruses-Basel
- Ribavirin and interferon therapy in patients infected with the Middle East respiratory syndrome coronavirus: an observational study
- (2014) Jaffar A. Al-Tawfiq et al. INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES
- Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
- (2013) G. Madhavi Sastry et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Flavonoid-mediated inhibition of SARS coronavirus 3C-like protease expressed in Pichia pastoris
- (2012) Thi Thanh Hanh Nguyen et al. BIOTECHNOLOGY LETTERS
- Water Model Tuning for Improved Reproduction of Rotational Diffusion and NMR Spectral Density
- (2012) Kazuhiro Takemura et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Biflavonoids from Torreya nucifera displaying SARS-CoV 3CLpro inhibition
- (2010) Young Bae Ryu et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution
- (2010) Jeremy R. Greenwood et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
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