Progress in Developing Inhibitors of SARS-CoV-2 3C-Like Protease

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

(2020) Manli Wang et al.   CELL RESEARCH

Recent discovery and development of inhibitors targeting coronaviruses

(2020) Thanigaimalai Pillaiyar et al.   DRUG DISCOVERY TODAY

The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health — The latest 2019 novel coronavirus outbreak in Wuhan, China

(2020) David S. Hui et al.   INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES

Baricitinib as potential treatment for 2019-nCoV acute respiratory disease

(2020) Peter Richardson et al.   LANCET

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

A Novel Coronavirus from Patients with Pneumonia in China, 2019

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

Structural basis for the recognition of the SARS-CoV-2 by full-length human ACE2

(2020) Renhong Yan et al.   SCIENCE

Potent binding of 2019 novel coronavirus spike protein by a SARS coronavirus-specific human monoclonal antibody

(2020) Xiaolong Tian et al.   Emerging Microbes & Infections

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

Bi-directional differentiation of single bronchioalveolar stem cells during lung repair

(2020) Kuo Liu et al.   Cell Discovery

Potential covalent drugs targeting the main protease of the SARS-CoV-2 coronavirus

(2020) Sen Liu et al.   BIOINFORMATICS

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

(2020) Alexandra C. Walls et al.   CELL

Characterization of the receptor-binding domain (RBD) of 2019 novel coronavirus: implication for development of RBD protein as a viral attachment inhibitor and vaccine

(2020) Wanbo Tai et al.   Cellular & Molecular Immunology

How could artificial intelligence aid in the fight against coronavirus?

(2020) Hadi M Yassine et al.   Expert Review of Anti-Infective Therapy

Interactions of coronaviruses with ACE2, angiotensin II, and RAS inhibitors—lessons from available evidence and insights into COVID-19

(2020) Hisashi Kai et al.   HYPERTENSION RESEARCH

Drug repositioning is an alternative for the treatment of coronavirus COVID-19

(2020) Marissa B. Serafin et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

The epidemiology, diagnosis and treatment of COVID-19

(2020) Pan Zhai et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Hydroxychloroquine and azithromycin as a treatment of COVID-19: results of an open-label non-randomized clinical trial

(2020) Philippe Gautret et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Lack of Antiviral Activity of Darunavir against SARS-CoV-2

(2020) Sandra De Meyer et al.   INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES

Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design

(2020) Maria Bzówka et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition

(2020) Aleix Gimeno et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors

(2020) Vijay Kumar Bhardwaj et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (Mpro) of SARS-CoV-2 and inhibit its activity

(2020) Vipul Kumar 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

Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease

(2020) Chinmayee Choudhury   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Big data integration and analytics to prevent a potential hospital outbreak of COVID-19 in Taiwan

(2020) Fang-Ming Chen et al.   JOURNAL OF MICROBIOLOGY IMMUNOLOGY AND INFECTION

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

Remdesivir in adults with severe COVID-19: a randomised, double-blind, placebo-controlled, multicentre trial

(2020) Yeming Wang et al.   LANCET

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

Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur

(2020) Zhenming Jin et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

A Trial of Lopinavir–Ritonavir in Adults Hospitalized with Severe Covid-19

(2020) Bin Cao et al.   NEW ENGLAND JOURNAL OF MEDICINE

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

(2020) Wenhao Dai et al.   SCIENCE

Projecting the transmission dynamics of SARS-CoV-2 through the postpandemic period

(2020) Stephen M. Kissler et al.   SCIENCE

Drug treatment options for the 2019-new coronavirus (2019-nCoV)

(2020) Hongzhou Lu   BioScience Trends

Breakthrough: Chloroquine phosphate has shown apparent efficacy in treatment of COVID-19 associated pneumonia in clinical studies

(2020) Jianjun Gao et al.   BioScience Trends

Antiviral Efficacies of FDA-Approved Drugs against SARS-CoV-2 Infection in Ferrets

(2020) Su-Jin Park et al.   mBio

Research and Development on Therapeutic Agents and Vaccines for COVID-19 and Related Human Coronavirus Diseases

(2020) Cynthia Liu et al.   ACS Central Science

Artificial intelligence approach fighting COVID-19 with repurposing drugs

(2020) Yi-Yu Ke et al.   Biomedical Journal

Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants

(2020) Muhammad Tahir ul Qamar et al.   Journal of Pharmaceutical Analysis

Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease

(2020) Chunlong Ma et al.   CELL RESEARCH

Identification of potential binders of the main protease 3CLpro of the COVID-19 via structure-based ligand design and molecular modeling

(2020) Marina Macchiagodena et al.   CHEMICAL PHYSICS LETTERS

Repurposing Drugs for the Management of Patients with Confirmed Coronavirus Disease 2019 (COVID-19)

(2020) Evellyn Claudia Wietzikoski Lovato et al.   CURRENT PHARMACEUTICAL DESIGN

Revisiting potential druggable targets against SARS‐CoV ‐2 and repurposing therapeutics under preclinical study and clinical trials: A comprehensive review

(2020) Abdullah Al Mamun Sohag et al.   DRUG DEVELOPMENT RESEARCH

Discovering small-molecule therapeutics against SARS-CoV-2

(2020) Vaibhav Tiwari et al.   DRUG DISCOVERY TODAY

Repositioning chloroquine as antiviral prophylaxis against COVID-19: potential and challenges

(2020) Raymond Chang et al.   DRUG DISCOVERY TODAY

Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro)

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

Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target

(2020) K. G. Arun et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease − Inhibitor N3 Complex (PDB ID: 6LU7)

(2020) Ryo Hatada et al.   Journal of Chemical Information and Modeling

Repositioning of 8565 Existing Drugs for COVID-19

(2020) Kaifu Gao et al.   Journal of Physical Chemistry Letters

In vitro testing of combined hydroxychloroquine and azithromycin on SARS-CoV-2 shows synergistic effect

(2020) Julien Andreani et al.   MICROBIAL PATHOGENESIS

Current Status of Multiple Drug Molecules, and Vaccines: An Update in SARS-CoV-2 Therapeutics

(2020) Ramesh Kandimalla et al.   MOLECULAR NEUROBIOLOGY

COVID‐19 drug repurposing: Summary statistics on current clinical trials and promising untested candidates

(2020) J. Wes Ulm et al.   Transboundary and Emerging Diseases

SARS-CoV-2: characteristics and current advances in research

(2020) Yicheng Yang et al.   Virology Journal

Therapeutic Strategies Against COVID-19 and Structural Characterization of SARS-CoV-2: A Review

(2020) Gi Uk Jeong et al.   Frontiers in Microbiology

While We Wait for a Vaccine Against SARS-CoV-2, Why Not Think About Available Drugs?

(2020) Francisco J. Barrantes   Frontiers in Physiology

In silico prediction of potential inhibitors for the Main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing

(2020) Yogesh Kumar et al.   Journal of Infection and Public Health

The SARS-CoV-2 main protease as drug target

(2020) Sven Ullrich et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Approaches and advances in the development of potential therapeutic targets and antiviral agents for the management of SARS-CoV-2 infection

(2020) Gayathri Krishna et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

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

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

Drug repositioning, a new alternative in infectious diseases

(2018) Marissa Bolson Serafin et al.   Brazilian Journal of Infectious Diseases

Artificial intelligence in drug development: present status and future prospects

(2018) Kit-Kay Mak et al.   DRUG DISCOVERY TODAY

Structural Dynamics of Zika Virus NS2B-NS3 Protease Binding to Dipeptide Inhibitors

(2017) Yan Li et al.   STRUCTURE

An Overview of Severe Acute Respiratory Syndrome–Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy

(2016) Thanigaimalai Pillaiyar et al.   JOURNAL OF MEDICINAL CHEMISTRY

Crystal structure of unlinked NS2B-NS3 protease from Zika virus

(2016) Zhenzhen Zhang et al.   SCIENCE

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

(2016) Yunjeong Kim et al.   PLoS Pathogens

Drug Design For Flavivirus Proteases: What Are We Missing?

(2014) Anders Poulsen et al.   CURRENT PHARMACEUTICAL DESIGN

Dynamically-Driven Enhancement of the Catalytic Machinery of the SARS 3C-Like Protease by the S284-T285-I286/A Mutations on the Extra Domain

(2014) Liangzhong Lim et al.   PLoS One

Nidovirus papain-like proteases: Multifunctional enzymes with protease, deubiquitinating and deISGylating activities

(2014) Anna M. Mielech et al.   VIRUS RESEARCH

Emergence of MERS-CoV in the Middle East: Origins, Transmission, Treatment, and Perspectives

(2014) Ahmad Sharif-Yakan et al.   PLoS Pathogens

Severe Acute Respiratory Syndrome Coronavirus Envelope Protein Ion Channel Activity Promotes Virus Fitness and Pathogenesis

(2014) Jose L. Nieto-Torres et al.   PLoS Pathogens

MERS-CoV papain-like protease has deISGylating and deubiquitinating activities

(2013) Anna M. Mielech et al.   VIROLOGY

The newly emerged SARS-Like coronavirus HCoV-EMC also has an “Achilles’ heel”: current effective inhibitor targeting a 3C-like protease

(2013) Zhilin Ren et al.   Protein & Cell

Exploring the binding of peptidic West Nile virus NS2B–NS3 protease inhibitors by NMR

(2012) CongBao Kang et al.   ANTIVIRAL RESEARCH

Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses

(2012) Y. Kim et al.   JOURNAL OF VIROLOGY

Activation and maturation of SARS-CoV main protease

(2011) Bin Xia et al.   Protein & Cell

1H, 13C and 15N resonance assignments of SARS-CoV main protease N-terminal domain

(2010) Shengnan Zhang et al.   Biomolecular NMR Assignments

Emerging principles in protease-based drug discovery

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

Three-dimensional domain swapping as a mechanism to lock the active conformation in a super-active octamer of SARS-CoV main protease

(2010) Shengnan Zhang et al.   Protein & Cell

Individual and common inhibitors of coronavirus and picornavirus main proteases

(2009) Chih-Jung Kuo et al.   FEBS LETTERS

Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure

(2009) Tiancen Hu et al.   VIROLOGY

Development of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3CLpro

(2008) Usman Bacha et al.   Chemical Biology & Drug Design

A Structural View of the Inactivation of the SARS Coronavirus Main Proteinase by Benzotriazole Esters

(2008) Koen H.G. Verschueren et al.   CHEMISTRY & BIOLOGY

Without Its N-Finger, the Main Protease of Severe Acute Respiratory Syndrome Coronavirus Can Form a Novel Dimer through Its C-Terminal Domain

(2008) N. Zhong et al.   JOURNAL OF VIROLOGY