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

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

A Review on Antibacterial, Antiviral, and Antifungal Activity of Curcumin

(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

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Fresh ginger (Zingiber officinale) has anti-viral activity against human respiratory syncytial virus in human respiratory tract cell lines

(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