Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein

The antiviral compound remdesivir potently inhibits RNA-dependent RNA polymerase from Middle East respiratory syndrome coronavirus

(2020) Calvin J Gordon et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A new coronavirus associated with human respiratory disease in China

(2020) Fan Wu et al.   NATURE

First Case of 2019 Novel Coronavirus in the United States

(2020) Michelle L. Holshue et al.   NEW ENGLAND JOURNAL OF MEDICINE

A Novel Coronavirus from Patients with Pneumonia in China, 2019

(2020) Na Zhu et al.   NEW ENGLAND JOURNAL OF MEDICINE

Conceptual density functional theory: status, prospects, issues

(2020) Paul Geerlings et al.   THEORETICAL CHEMISTRY ACCOUNTS

Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein

(2020) Alexandra C. Walls et al.   CELL

In Vitro Antiviral Activity and Projection of Optimized Dosing Design of Hydroxychloroquine for the Treatment of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)

(2020) Xueting Yao et al.   CLINICAL INFECTIOUS DISEASES

A systematic review of the prophylactic role of chloroquine and hydroxychloroquine in coronavirus disease‐19 (COVID‐19)

(2020) Sanket Shah et al.   International Journal of Rheumatic Diseases

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

(2020) Nisha Muralidharan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Lopinavir/ritonavir did not shorten the duration of SARS CoV-2 shedding in patients with mild pneumonia in Taiwan

(2020) Chien-Yu Cheng et al.   JOURNAL OF MICROBIOLOGY IMMUNOLOGY AND INFECTION

Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor

(2020) Jun Lan et al.   NATURE

Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

(2020) Linlin Zhang et al.   SCIENCE

In-vitro evaluation of the antibacterial activity of the essential oils of Micromeria barbata, Eucalyptus globulus and Juniperus excelsa against strains of Mycobacterium tuberculosis (including MDR), Mycobacterium kansasii and Mycobacterium gordonae

(2019) Khaled El Omari et al.   Journal of Infection and Public Health

Bioactive phytochemicals

(2019) Jianbo Xiao et al.   CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION

Herbs and Spices- Biomarkers of Intake Based on Human Intervention Studies – A Systematic Review

(2019) Rosa Vázquez-Fresno et al.   Genes and Nutrition

A comprehensive review of the antibacterial, antifungal and antiviral potential of essential oils and their chemical constituents against drug-resistant microbial pathogens

(2019) Saika Tariq et al.   MICROBIAL PATHOGENESIS

Antimicrobial, Antioxidant, and Immunomodulatory Properties of Essential Oils: A Systematic Review

(2019) Magdalena Valdivieso-Ugarte et al.   Nutrients

Comparing AutoDock and Vina in Ligand/Decoy Discrimination for Virtual Screening

(2019) Tatiana F. Vieira et al.   Applied Sciences-Basel

An Overview of the Biological Effects of Some Mediterranean Essential Oils on Human Health

(2017) Hazem S. Elshafie et al.   Biomed Research International

Essential Oils: Sources of Antimicrobials and Food Preservatives

(2017) Abhay K. Pandey et al.   Frontiers in Microbiology

Antimicrobial Properties of Plant Essential Oils against Human Pathogens and Their Mode of Action: An Updated Review

(2016) Mallappa Kumara Swamy et al.   Evidence-based Complementary and Alternative Medicine

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

Cinnamon: A Multifaceted Medicinal Plant

(2014) Pasupuleti Visweswara Rao et al.   Evidence-based Complementary and Alternative Medicine

Essential Oils for Complementary Treatment of Surgical Patients: State of the Art

(2014) Susanna Stea et al.   Evidence-based Complementary and Alternative Medicine

Design, synthesis and docking studies of some novel isocoumarin analogues as antimicrobial agents

(2014) Zaman Ashraf et al.   RSC Advances

New Perspectives on How to Discover Drugs from Herbal Medicines: CAM's Outstanding Contribution to Modern Therapeutics

(2013) Si-Yuan Pan et al.   Evidence-based Complementary and Alternative Medicine

Major bioactivities and mechanism of action of essential oils and their components

(2013) Nizar Y. Saad et al.   FLAVOUR AND FRAGRANCE JOURNAL

Antimutagenic Effect of Origanum majorana L. Essential Oil Against Prallethrin-Induced Genotoxic Damage in Rat Bone Marrow Cells

(2013) Abdel-Tawab H. Mossa et al.   JOURNAL OF MEDICINAL FOOD

Challenges and opportunities of drug repositioning

(2013) Natalia Novac   TRENDS IN PHARMACOLOGICAL SCIENCES

Evaluation of some phenothiazine derivatives as corrosion inhibitors for bronze in weakly acidic solution

(2012) Roxana Bostan et al.   CORROSION SCIENCE

Isolation of a Novel Coronavirus from a Man with Pneumonia in Saudi Arabia

(2012) Ali M. Zaki et al.   NEW ENGLAND JOURNAL OF MEDICINE

Experimental and theoretical investigation of 3-amino-1,2,4-triazole-5-thiol as a corrosion inhibitor for carbon steel in HCl medium

(2011) Başak Doğru Mert et al.   CORROSION SCIENCE

Protein-Protein Complex Structure Predictions by Multimeric Threading and Template Recombination

(2011) Srayanta Mukherjee et al.   STRUCTURE

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Virtual Screening for HIV Protease Inhibitors: A Comparison of AutoDock 4 and Vina

(2010) Max W. Chang et al.   PLoS One

Comparative study on the antiviral activity of selected monoterpenes derived from essential oils

(2009) Akram Astani et al.   PHYTOTHERAPY RESEARCH

Inhibitory effect of essential oils against herpes simplex virus type 2

(2007) C. Koch et al.   PHYTOMEDICINE