Repurposing potential of Ayurvedic medicinal plants derived active principles against SARS-CoV-2 associated target proteins revealed by molecular docking, molecular dynamics and MM-PBSA studies
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Title
Repurposing potential of Ayurvedic medicinal plants derived active principles against SARS-CoV-2 associated target proteins revealed by molecular docking, molecular dynamics and MM-PBSA studies
Authors
Keywords
ACE-2, Coronavirus, COVID-19, Furin, Main protease, RdRp, spike protein RBD
Journal
BIOMEDICINE & PHARMACOTHERAPY
Volume 137, Issue -, Pages 111356
Publisher
Elsevier BV
Online
2021-02-05
DOI
10.1016/j.biopha.2021.111356
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Note: Only part of the references are listed.- Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019‐nCoV
- (2020) Jared S. Morse et al. CHEMBIOCHEM
- Receptor recognition by novel coronavirus from Wuhan: An analysis based on decade-long structural studies of SARS
- (2020) Yushun Wan et al. JOURNAL OF VIROLOGY
- Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding
- (2020) Roujian Lu et al. LANCET
- Radiological findings from 81 patients with COVID-19 pneumonia in Wuhan, China: a descriptive study
- (2020) Heshui Shi et al. LANCET INFECTIOUS DISEASES
- Coronavirus Disease 2019 (COVID-19): A Perspective from China
- (2020) Zi Yue Zu et al. RADIOLOGY
- Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation
- (2020) Daniel Wrapp et al. SCIENCE
- Covid-19 infection and mortality: a physiologist’s perspective enlightening clinical features and plausible interventional strategies
- (2020) Zaid A. Abassi et al. AMERICAN JOURNAL OF PHYSIOLOGY-LUNG CELLULAR AND MOLECULAR PHYSIOLOGY
- The spike glycoprotein of the new coronavirus 2019-nCoV contains a furin-like cleavage site absent in CoV of the same clade
- (2020) B. Coutard et al. ANTIVIRAL RESEARCH
- SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor
- (2020) Markus Hoffmann et al. CELL
- Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion
- (2020) Shuai Xia et al. CELL RESEARCH
- Clinical characteristics of novel coronavirus cases in tertiary hospitals in Hubei Province
- (2020) Kui Liu et al. CHINESE MEDICAL JOURNAL
- Lopinavir/ritonavir use in Covid-19 infection: is it completely non-beneficial?
- (2020) Adewale Bayode Owa et al. JOURNAL OF MICROBIOLOGY IMMUNOLOGY AND INFECTION
- Structural basis of receptor recognition by SARS-CoV-2
- (2020) Jian Shang et al. NATURE
- Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
- (2020) Zhenming Jin et al. NATURE
- Remdesivir for the Treatment of Covid-19 — Preliminary Report
- (2020) John H. Beigel et al. NEW ENGLAND JOURNAL OF MEDICINE
- Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
- (2020) Linlin Zhang et al. SCIENCE
- A Novel Combination of Vitamin C, Curcumin and Glycyrrhizic Acid Potentially Regulates Immune and Inflammatory Response Associated with Coronavirus Infections: A Perspective from System Biology Analysis
- (2020) Liang Chen et al. Nutrients
- A Unique Protease Cleavage Site Predicted in the Spike Protein of the Novel Pneumonia Coronavirus (2019-nCoV) Potentially Related to Viral Transmissibility
- (2020) Qiong Wang et al. VIROLOGICA SINICA
- Remdesivir, lopinavir, emetine, and homoharringtonine inhibit SARS-CoV-2 replication in vitro
- (2020) Ka-Tim Choy et al. ANTIVIRAL RESEARCH
- Structural Basis of the Potential Binding Mechanism of Remdesivir to SARS-CoV-2 RNA-Dependent RNA Polymerase
- (2020) Leili Zhang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease
- (2020) Mahmoud Kandeel et al. LIFE SCIENCES
- Quercetin and Vitamin C: An Experimental, Synergistic Therapy for the Prevention and Treatment of SARS-CoV-2 Related Disease (COVID-19)
- (2020) Ruben Manuel Luciano Colunga Biancatelli et al. Frontiers in Immunology
- 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
- Pharmacoinformatics and hypothetical studies on allicin, curcumin, and gingerol as potential candidates against COVID-19-associated proteases
- (2020) Babatunde Joseph Oso et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Anti-infective Properties of the Golden Spice Curcumin
- (2019) Dimas Praditya et al. Frontiers in Microbiology
- Curcumin is an APE1 redox inhibitor and exhibits an antiviral activity against KSHV replication and pathogenesis
- (2019) He Li et al. ANTIVIRAL RESEARCH
- Structure of the SARS-CoV nsp12 polymerase bound to nsp7 and nsp8 co-factors
- (2019) Robert N. Kirchdoerfer et al. Nature Communications
- Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) 3,5-dimethylpyrazole complexes: Anticancer evaluation and theoretical studies
- (2019) Anshuman Gogoi et al. POLYHEDRON
- Synergic effect of curcumin and its structural analogue (Monoacetylcurcumin) on anti-influenza virus infection
- (2018) Sarah M. Richart et al. JOURNAL OF FOOD AND DRUG ANALYSIS
- Traditional and modern uses of onion bulb (Allium cepa L.): A systematic review
- (2018) Joaheer D. Teshika et al. CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION
- Molecular Dynamics Simulation for All
- (2018) Scott A. Hollingsworth et al. NEURON
- In vitro antiviral, anti-inflammatory, and antioxidant activities of the ethanol extract of Mentha piperita L.
- (2017) YuXian Li et al. FOOD SCIENCE AND BIOTECHNOLOGY
- Garlic Organosulfur Compounds Reduce Inflammation and Oxidative Stress during Dengue Virus Infection
- (2017) Alex Hall et al. Viruses-Basel
- In vitro evaluation of novel antiviral activities of 60 medicinal plants extracts against hepatitis B virus
- (2017) Ahmed Hassan Arbab et al. Experimental and Therapeutic Medicine
- Antibacterial, antifungal, and antiviral effects of three essential oil blends
- (2017) Amandine Brochot et al. MicrobiologyOpen
- Novel Furin Inhibitors with Potent Anti-infectious Activity
- (2015) Kornelia Hardes et al. ChemMedChem
- Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets
- (2015) Alex M. Clark et al. Journal of Chemical Information and Modeling
- Foeniculum vulgareMill. Protects against Lipopolysaccharide-induced Acute Lung Injury in Mice through ERK-dependent NF-κB Activation
- (2015) Hui Su Lee et al. KOREAN JOURNAL OF PHYSIOLOGY & PHARMACOLOGY
- PubChem Substance and Compound databases
- (2015) Sunghwan Kim et al. NUCLEIC ACIDS RESEARCH
- Antiviral efficacy and mechanisms of action of oregano essential oil and its primary component carvacrol against murine norovirus
- (2014) D.H. Gilling et al. JOURNAL OF APPLIED MICROBIOLOGY
- g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations
- (2014) Rashmi Kumari et al. Journal of Chemical Information and Modeling
- Anti-influenza effect of Cordyceps militaris through immunomodulation in a DBA/2 mouse model
- (2014) Hwan Hee Lee et al. JOURNAL OF MICROBIOLOGY
- Foeniculum vulgareMill: A Review of Its Botany, Phytochemistry, Pharmacology, Contemporary Application, and Toxicology
- (2014) Shamkant B. Badgujar et al. Biomed Research International
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- (2014) Soheil Zorofchian Moghadamtousi et al. Biomed Research International
- The PRISMA Statement for Reporting Systematic Reviews and Meta-Analyses of Studies That Evaluate Health Care Interventions: Explanation and Elaboration
- (2013) Alessandro Liberati ANNALS OF INTERNAL MEDICINE
- Pharmacological and therapeutic potential of Cordyceps with special reference to Cordycepin
- (2013) Hardeep S. Tuli et al. 3 Biotech
- Antiviral activity of the Lippia graveolens (Mexican oregano) essential oil and its main compound carvacrol against human and animal viruses
- (2012) Marciele Ribas Pilau et al. BRAZILIAN JOURNAL OF MICROBIOLOGY
- Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
- (2012) Xuan-Yu Meng et al. Current Computer-Aided Drug Design
- Mechanisms of Host Receptor Adaptation by Severe Acute Respiratory Syndrome Coronavirus
- (2012) Kailang Wu et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
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- (2012) Jung San Chang et al. JOURNAL OF ETHNOPHARMACOLOGY
- Role of host cellular proteases in the pathogenesis of influenza and influenza-induced multiple organ failure
- (2011) Hiroshi Kido et al. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
- Recent developments in anti-severe acute respiratory syndrome coronavirus chemotherapy
- (2011) Dale L Barnard et al. Future Virology
- SwissParam: A fast force field generation tool for small organic molecules
- (2011) Vincent Zoete et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Double-blinded randomized controlled trial for immunomodulatory effects of Tulsi (Ocimum sanctum Linn.) leaf extract on healthy volunteers
- (2011) Shankar Mondal et al. JOURNAL OF ETHNOPHARMACOLOGY
- Role of curcumin-dependent modulation of tumor microenvironment of a murine T cell lymphoma in altered regulation of tumor cell survival
- (2011) Naveen Kumar Vishvakarma et al. TOXICOLOGY AND APPLIED PHARMACOLOGY
- Antiviral activity of four types of bioflavonoid against dengue virus type-2
- (2011) Keivan Zandi et al. Virology Journal
- Pharmacophore modeling and applications in drug discovery: challenges and recent advances
- (2010) Sheng-Yong Yang DRUG DISCOVERY TODAY
- Potential of Complementary and Alternative Medicine in Preventive Management of Novel H1N1 Flu (Swine Flu) Pandemic: Thwarting Potential Disasters in the Bud
- (2010) Rajesh Arora et al. Evidence-based Complementary and Alternative Medicine
- Use of Tinospora cordifolia in HIV infection
- (2010) Shahid Akhtar INDIAN JOURNAL OF PHARMACOLOGY
- Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models
- (2010) Pär Bjelkmar et al. Journal of Chemical Theory and Computation
- Screening for Antiviral Activities of Isolated Compounds from Essential Oils
- (2009) Akram Astani et al. Evidence-based Complementary and Alternative Medicine
- Immunomodulatory effect of Tinospora cordifolia extract in human immuno-deficiency virus positive patients
- (2009) VR Thawani et al. INDIAN JOURNAL OF PHARMACOLOGY
- Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications
- (2009) Oranit Dror et al. Journal of Chemical Information and Modeling
- Potent Inhibitors of Furin and Furin-like Proprotein Convertases Containing Decarboxylated P1 Arginine Mimetics
- (2009) Gero L. Becker et al. JOURNAL OF MEDICINAL CHEMISTRY
- Deterministic Pharmacophore Detection via Multiple Flexible Alignment of Drug-Like Molecules
- (2008) Dina Schneidman-Duhovny et al. JOURNAL OF COMPUTATIONAL BIOLOGY
- Reaction of Rosmarinic Acid with Nitrite Ions in Acidic Conditions: Discovery of Nitro- and Dinitrorosmarinic Acids as New Anti-HIV-1 Agents
- (2008) Mélanie Dubois et al. JOURNAL OF MEDICINAL CHEMISTRY
- PharmaGist: a webserver for ligand-based pharmacophore detection
- (2008) D. Schneidman-Duhovny et al. NUCLEIC ACIDS RESEARCH
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