In Silico Evaluation of the Effectivity of Approved Protease Inhibitors against the Main Protease of the Novel SARS-CoV-2 Virus

Potential inhibitors against 2019-nCoV coronavirus M protease from clinically approved medicines

(2020) Xin Liu et al.   Journal of Genetics and Genomics

A pneumonia outbreak associated with a new coronavirus of probable bat origin

(2020) Peng Zhou et al.   NATURE

Therapeutic options for the 2019 novel coronavirus (2019-nCoV)

(2020) Guangdi Li et al.   NATURE REVIEWS DRUG DISCOVERY

Genomic characterization of the 2019 novel human-pathogenic coronavirus isolated from a patient with atypical pneumonia after visiting Wuhan

(2020) Jasper Fuk-Woo Chan et al.   Emerging Microbes & Infections

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

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

Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase

(2020) Rameez Jabeer Khan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach

(2020) Salman Ali Khan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Difference of coagulation features between severe pneumonia induced by SARS-CoV2 and non-SARS-CoV2

(2020) Shiyu Yin et al.   JOURNAL OF THROMBOSIS AND THROMBOLYSIS

Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study

(2020) Davide Gentile et al.   Marine Drugs

Rapid Identification of Potential Inhibitors of SARS‐CoV‐2 Main Protease by Deep Docking of 1.3 Billion Compounds

(2020) Anh-Tien Ton et al.   Molecular Informatics

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

(2020) Zhenming Jin 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

Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs

(2020) Paolo Calligari et al.   Viruses-Basel

Potential anti‐SARS‐CoV‐2 drug candidates identified through virtual screening of the ChEMBL database for compounds that target the main coronavirus protease

(2020) Motonori Tsuji   FEBS Open Bio

Hydroxychloroquine, a less toxic derivative of chloroquine, is effective in inhibiting SARS-CoV-2 infection in vitro

(2020) Jia Liu et al.   Cell Discovery

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

(2020) Mahmoud Kandeel et al.   LIFE SCIENCES

Docking analysis targeted to the whole enzyme: an application to the prediction of inhibition of PTP1B by thiomorpholine and thiazolyl derivatives

(2018) C. A. Ganou et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Coronaviruses — drug discovery and therapeutic options

(2016) Alimuddin Zumla et al.   NATURE REVIEWS DRUG DISCOVERY

Addition of dipeptidyl peptidase-4 inhibitors to sulphonylureas and risk of hypoglycaemia: systematic review and meta-analysis

(2016) Francesco Salvo et al.   BMJ-British Medical Journal

Addition of dipeptidyl peptidase-4 inhibitors to sulphonylureas and risk of hypoglycaemia: systematic review and meta-analysis

(2016) Francesco Salvo et al.   BMJ-British Medical Journal

Prediction of enzyme inhibition and mode of inhibitory action based on calculation of distances between hydrogen bond donor/acceptor groups of the molecule and docking analysis: An application on the discovery of novel effective PTP1B inhibitors

(2015) P. Eleftheriou et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Pharmacokinetics, Safety, and Tolerability of Faldaprevir in Patients with Renal Impairment

(2014) Fenglei Huang et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Daclatasvir plus asunaprevir for chronic HCV genotype 1b infection

(2014) Hiromitsu Kumada et al.   HEPATOLOGY

Multiple-dose pharmacokinetics and pharmacodynamics of evogliptin (DA-1229), a novel dipeptidyl peptidase IV inhibitor, in healthy volunteers

(2014) Namyi Gu et al.   Drug Design Development and Therapy

Characterization of vaniprevir, a hepatitis C virus NS3/4A protease inhibitor, in patients with HCV genotype 1 infection: Safety, antiviral activity, resistance, and pharmacokinetics

(2013) Eric Lawitz et al.   ANTIVIRAL RESEARCH

MMDB and VAST+: tracking structural similarities between macromolecular complexes

(2013) Thomas Madej et al.   NUCLEIC ACIDS RESEARCH

An ensemble view of thrombin allostery

(2012) Bernhard C. Lechtenberg et al.   BIOLOGICAL CHEMISTRY

The Extended Cleavage Specificity of Human Thrombin

(2012) Maike Gallwitz et al.   PLoS One

New Details of HCV NS3/4A Proteinase Functionality Revealed by a High-Throughput Cleavage Assay

(2012) Sergey A. Shiryaev et al.   PLoS One

Molecular recognition and regulation of human angiotensin-I converting enzyme (ACE) activity by natural inhibitory peptides

(2012) Geoffrey Masuyer et al.   Scientific Reports

Emerging principles in protease-based drug discovery

(2010) Marcin Drag et al.   NATURE REVIEWS DRUG DISCOVERY

Comparative Studies on Retroviral Proteases: Substrate Specificity

(2010) József Tözsér   Viruses-Basel

Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock

(2009) Zsolt Bikadi et al.   Journal of Cheminformatics

Factor Xa Active Site Substrate Specificity with Substrate Phage Display and Computational Molecular Modeling

(2008) Hung-Ju Hsu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY