Ebsulfur and Ebselen as highly potent scaffolds for the development of potential SARS-CoV-2 antivirals

Identification of ebselen and its analogues as potent covalent inhibitors of papain-like protease from SARS-CoV-2

(2021) Ewelina Weglarz-Tomczak et al.   Scientific Reports

α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment

(2020) Linlin Zhang et al.   JOURNAL OF MEDICINAL CHEMISTRY

The reproductive number of COVID-19 is higher compared to SARS coronavirus

(2020) Ying Liu et al.   JOURNAL OF TRAVEL MEDICINE

The species Severe acute respiratory syndrome-related coronavirus: classifying 2019-nCoV and naming it SARS-CoV-2

(2020)   Nature Microbiology

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

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

Compassionate Use of Remdesivir for Patients with Severe Covid-19

(2020) Jonathan Grein 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

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

(2020) Linlin Zhang et al.   SCIENCE

Comparison of Prevalence and Associated Factors of Anxiety and Depression Among People Affected by versus People Unaffected by Quarantine During the COVID-19 Epidemic in Southwestern China

(2020) Lei Lei et al.   MEDICAL SCIENCE MONITOR

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

Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations

(2020) Alessandro Grottesi et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structural basis of RNA cap modification by SARS-CoV-2

(2020) Thiruselvam Viswanathan et al.   Nature Communications

Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates

(2020) Ryunosuke Yoshino et al.   Scientific Reports

Structural based study to identify new potential inhibitors for dual specificity tyrosine-phosphorylation- regulated kinase

(2020) Vijay Kumar Bhardwaj et al.   COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE

Clinical Outcomes and Plasma Concentrations of Baloxavir Marboxil and Favipiravir in COVID-19 Patients: An Exploratory Randomized, Controlled Trial

(2020) Yan Lou et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Discovery and in silico evaluation of aminoarylbenzosuberene molecules as novel checkpoint kinase 1 inhibitor determinants

(2020) Rahul Singh et al.   GENOMICS

Impact of Azithromycin and/or Hydroxychloroquine on Hospital Mortality in COVID-19

(2020) Filippo Albani et al.   Journal of Clinical Medicine

Evaluation of acridinedione analogs as potential SARS-CoV-2 main protease inhibitors and their comparison with repurposed anti-viral drugs

(2020) Vijay Kumar Bhardwaj et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Conserved interactions required for inhibition of the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)

(2020) Alina Shitrit et al.   Scientific Reports

An in-silico evaluation of different bioactive molecules of tea for their inhibition potency against non structural protein-15 of SARS-CoV-2

(2020) Jatin Sharma et al.   FOOD CHEMISTRY

Validating Enterovirus D68-2Apro as an Antiviral Drug Target and the Discovery of Telaprevir as a Potent D68-2Apro Inhibitor

(2019) Rami Musharrafieh et al.   JOURNAL OF VIROLOGY

The assemblage of covalent and metal binding dual functional scaffold for cross-class metallo-β-lactamases inhibition

(2019) Cheng Chen et al.   Future Medicinal Chemistry

Natural analogues inhibiting selective cyclin-dependent kinase protein isoforms: a computational perspective

(2019) Rahul Singh et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Elimination of bitter-off taste of stevioside through structure modification and computational interventions

(2019) Vijay Bhardwaj et al.   JOURNAL OF THEORETICAL BIOLOGY

Rhodanine as a Potent Scaffold for the Development of Broad-Spectrum Metallo-β-lactamase Inhibitors

(2018) Yang Xiang et al.   ACS Medicinal Chemistry Letters

Ebsulfur as a potent scaffold for inhibition and labelling of New Delhi metallo-β-lactamase-1 in vitro and in vivo

(2018) Jianpeng Su et al.   BIOORGANIC CHEMISTRY

Carbamylmethyl Mercaptoacetate Thioether: A Novel Scaffold for the Development of L1 Metallo-β-lactamase Inhibitors

(2017) Ya-Nan Chang et al.   ACS Medicinal Chemistry Letters

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

Triazolylthioacetamide: A Valid Scaffold for the Development of New Delhi Metallo-β-Lactmase-1 (NDM-1) Inhibitors

(2016) Le Zhai et al.   ACS Medicinal Chemistry Letters

Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors

(2015) Yasuhiro Shimamoto et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Covalent docking using autodock: Two-point attractor and flexible side chain methods

(2015) Giulia Bianco et al.   PROTEIN SCIENCE

Diaryl-Substituted Azolylthioacetamides: Inhibitor Discovery of New Delhi Metallo-β-Lactamase-1 (NDM-1)

(2014) Yi-Lin Zhang et al.   ChemMedChem

Development of potent dipeptide-type SARS-CoV 3CL protease inhibitors with novel P3 scaffolds: Design, synthesis, biological evaluation, and docking studies

(2013) Pillaiyar Thanigaimalai et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Impact of enzyme concentration and residence time on apparent activity recovery in jump dilution analysis

(2011) Robert A. Copeland et al.   ANALYTICAL BIOCHEMISTRY

Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease

(2011) Lili Zhu et al.   ANTIVIRAL RESEARCH

Covalent Protein Labeling Based on Noncatalytic β-Lactamase and a Designed FRET Substrate

(2009) Shin Mizukami et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY