Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19

Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro

(2020) Manli Wang et al.   CELL RESEARCH

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

The 2019‐new coronavirus epidemic: Evidence for virus evolution

(2020) Domenico Benvenuto et al.   JOURNAL OF MEDICAL VIROLOGY

Anti-HCV, nucleotide inhibitors, repurposing against COVID-19

(2020) Abdo A. Elfiky   LIFE SCIENCES

On the origin and continuing evolution of SARS-CoV-2

(2020) Xiaolu Tang et al.   National Science Review

Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods

(2020) Canrong Wu et al.   Acta Pharmaceutica Sinica B

Potential Therapeutic Targets and Promising Drugs for Combating SARS‐CoV‐2

(2020) Hong Zhou et al.   BRITISH JOURNAL OF PHARMACOLOGY

Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CLpro): an in silico screening of alkaloids and terpenoids from African medicinal plants

(2020) Gideon A. Gyebi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Mild or Moderate Covid-19

(2020) Rajesh T. Gandhi et al.   NEW ENGLAND JOURNAL OF MEDICINE

Antioxidant and Antiproliferative Activity of Selected Medicinal Plants of Lower Assam, India: An In Vitro and In Silico Study

(2020) Ananta Swargiary et al.   Anti-Cancer Agents in Medicinal Chemistry

The FDA-approved drug ivermectin inhibits the replication of SARS-CoV-2 in vitro

(2020) Leon Caly et al.   ANTIVIRAL RESEARCH

Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development

(2020) Preeti Pandey et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2

(2020) Shafi Mahmud et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease

(2020) Mahmoud Kandeel et al.   LIFE SCIENCES

In silico ADMET and molecular docking study on searching potential inhibitors from limonoids and triterpenoids for COVID-19

(2020) Seshu Vardhan et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Update on therapeutic approaches and emerging therapies for SARS-CoV-2 virus

(2020) Calvin A. Omolo et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Phytochemicals containing biologically active polyphenols as an effective agent against Covid-19-inducing coronavirus

(2020) K. Chojnacka et al.   Journal of Functional Foods

Assessment of structurally and functionally high-risk nsSNPs impacts on human bone morphogenetic protein receptor type IA (BMPR1A) by computational approach

(2019) Md. Jahirul Islam et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

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

Exploring the potent inhibitors and binding modes of phospholipase A2 through in silico investigation

(2019) Shafi Mahmud et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Identification of novel proteolytically inactive mutations in coronavirus 3C-like protease using a combined approach

(2019) Junwei Zhou et al.   FASEB JOURNAL

Identification of COX-2 inhibitors via structure-based virtual screening and molecular dynamics simulation

(2018) Nima Razzaghi-Asl et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

In vitro inhibition of Hepatitis C virus protease and antioxidant by flavonoid glycosides from the Saudi costal plant Sarcocornia fruticosa

(2018) Usama W. Hawas et al.   NATURAL PRODUCT RESEARCH

Origin and evolution of pathogenic coronaviruses

(2018) Jie Cui et al.   NATURE REVIEWS MICROBIOLOGY

Evaluation of polyphenols from Broussonetia papyrifera as coronavirus protease inhibitors

(2017) Ji-Young Park et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Molecular Evolution of Human Coronavirus Genomes

(2017) Diego Forni et al.   TRENDS IN MICROBIOLOGY

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

New ways to boost molecular dynamics simulations

(2015) Elmar Krieger et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Papain-Like Protease (PLpro) Inhibitory Effects of Cinnamic Amides from Tribulus terrestris Fruits

(2014) Yeong Hun Song et al.   BIOLOGICAL & PHARMACEUTICAL BULLETIN

Lipid14: The Amber Lipid Force Field

(2014) Callum J. Dickson et al.   Journal of Chemical Theory and Computation

Use of Artemisinin and Its Derivatives for the Treatment of Malaria in Children

(2014) Joseph Okebe et al.   PEDIATRIC INFECTIOUS DISEASE JOURNAL

Dieckol, a SARS-CoV 3CLpro inhibitor, isolated from the edible brown algae Ecklonia cava

(2013) Ji-Young Park et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Phenolic phytochemical displaying SARS-CoV papain-like protease inhibition from the seeds ofPsoralea corylifolia

(2013) Dae Wook Kim et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Diarylheptanoids from Alnus japonica Inhibit Papain-Like Protease of Severe Acute Respiratory Syndrome Coronavirus

(2012) Ji-Young Park et al.   BIOLOGICAL & PHARMACEUTICAL BULLETIN

Flavonoid-mediated inhibition of SARS coronavirus 3C-like protease expressed in Pichia pastoris

(2012) Thi Thanh Hanh Nguyen et al.   BIOTECHNOLOGY LETTERS

Fatty Acid Synthase Inhibition by Amentoflavone Suppresses HER2/neu(erbB2) Oncogene in SKBR3 Human Breast Cancer Cells

(2012) Jin Sun Lee et al.   PHYTOTHERAPY RESEARCH

Screening ofα-Glucosidase Inhibitory Activity from Some Plants of Apocynaceae, Clusiaceae, Euphorbiaceae, and Rubiaceae

(2011) Berna Elya et al.   JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY

Biflavonoids from Torreya nucifera displaying SARS-CoV 3CLpro inhibition

(2010) Young Bae Ryu et al.   BIOORGANIC & MEDICINAL CHEMISTRY

SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii

(2010) Young Bae Ryu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Prenylisoflavonoids fromErythrina senegalensisas Novel HIV-1 Protease Inhibitors

(2008) JiSuk Lee et al.   PLANTA MEDICA