Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors – an in silico docking and molecular dynamics simulation study

A familial cluster of pneumonia associated with the 2019 novel coronavirus indicating person-to-person transmission: a study of a family cluster

(2020) Jasper Fuk-Woo Chan et al.   LANCET

Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study

(2020) Nanshan Chen et al.   LANCET

A new coronavirus associated with human respiratory disease in China

(2020) Fan Wu et al.   NATURE

A Novel Coronavirus from Patients with Pneumonia in China, 2019

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

Coronavirus: covid-19 has killed more people than SARS and MERS combined, despite lower case fatality rate

(2020) Elisabeth Mahase   BMJ-British Medical Journal

Identification of a novel coronavirus causing severe pneumonia in human

(2020) Li-Li Ren et al.   CHINESE MEDICAL JOURNAL

Repurposing of chloroquine and some clinically approved antiviral drugs as effective therapeutics to prevent cellular entry and replication of coronavirus

(2020) Akinwunmi O. Adeoye et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study

(2020) Sourav Das et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A review on the cleavage priming of the spike protein on coronavirus by angiotensin-converting enzyme-2 and furin

(2020) Anwarul Hasan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets

(2020) Saurabh K. Sinha et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach

(2020) Saurov Mahanta et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

(2020) I. Aanouz et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

(2020) Subramanian Boopathi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Truncated human angiotensin converting enzyme 2; a potential inhibitor of SARS-CoV-2 spike glycoprotein and potent COVID-19 therapeutic agent

(2020) Abdul Basit et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

Stilbene-based natural compounds as promising drug candidates against COVID-19

(2020) Hussain Mustatab Wahedi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes

(2020) Ammar D. Elmezayen et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target

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

Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach

(2020) Sukanth Kumar Enmozhi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

The expression level of angiotensin-converting enzyme 2 determines the severity of COVID-19: lung and heart tissue as targets

(2020) Mohammad Mahdi Nejadi Babadaei et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

(2020) Zhenming Jin et al.   NATURE

Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease

(2020) Wenhao Dai et al.   SCIENCE

COVID-19: Living through Another Pandemic

(2020) Essam Eldin A. Osman et al.   ACS Infectious Diseases

Effect of Stereochemical Configuration on the Transport and Metabolism of Catechins from Green Tea across Caco-2 Monolayers

(2019) Zeyi Ai et al.   MOLECULES

Effect of hydrophobic and hydrogen bonding interactions on the potency of ß‐alanine analogs of G‐protein coupled glucagon receptor inhibitors

(2019) Pushyaraga P. Venugopal et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Pathological role of a point mutation (T315I) in BCR-ABL1 protein-A computational insight

(2017) Vidya Rajendran et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

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

(2017) Antoine Daina et al.   Scientific Reports

Anti-influenza Virus Effects of Catechins: A Molecular and Clinical Review

(2016) Kazuke Ide et al.   CURRENT MEDICINAL CHEMISTRY

Structural analysis of oncogenic mutation of isocitrate dehydrogenase 1

(2016) Vidya Rajendran   Molecular BioSystems

The green tea molecule EGCG inhibits Zika virus entry

(2016) Bruno M. Carneiro et al.   VIROLOGY

Reversal of the Progression of Fatal Coronavirus Infection in Cats by a Broad-Spectrum Coronavirus Protease Inhibitor

(2016) Yunjeong Kim et al.   PLoS Pathogens

Molecular Docking and Molecular Dynamics Simulation Studies to Predict Flavonoid Binding on the Surface of DENV2 E Protein

(2016) Nurul Azira Ismail et al.   Interdisciplinary Sciences-Computational Life Sciences

The green tea catechin, epigallocatechin gallate inhibits chikungunya virus infection

(2015) Christopher Weber et al.   ANTIVIRAL RESEARCH

A Comparative Insight into Amprenavir Resistance of Mutations V32I, G48V, I50V, I54V, and I84V in HIV-1 Protease Based on Thermodynamic Integration and MM-PBSA Methods

(2015) Jianzhong Chen et al.   Journal of Chemical Information and Modeling

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

Role of ELA region in auto-activation of mutant KIT receptor: a molecular dynamics simulation insight

(2013) Rituraj Purohit   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

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

(−)-Epigallocatechin-3-gallate is a new inhibitor of hepatitis C virus entry

(2011) Noémie Calland et al.   HEPATOLOGY

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Green tea extract and its major component epigallocatechin gallate inhibits hepatitis B virus in vitro

(2008) Jun Xu et al.   ANTIVIRAL RESEARCH

Evaluating the 3C-like protease activity of SARS-Coronavirus: Recommendations for standardized assays for drug discovery

(2007) Valerie Grum-Tokars et al.   VIRUS RESEARCH