Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
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Title
Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
Authors
Keywords
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Journal
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
Volume 21, Issue 9, Pages 3099
Publisher
MDPI AG
Online
2020-04-28
DOI
10.3390/ijms21093099
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Note: Only part of the references are listed.- Genome Composition and Divergence of the Novel Coronavirus (2019-nCoV) Originating in China
- (2020) Aiping Wu et al. Cell Host & Microbe
- 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
- Origin and Evolution of the 2019 Novel Coronavirus
- (2020) Liangsheng Zhang et al. CLINICAL INFECTIOUS DISEASES
- Potential inhibitors against 2019-nCoV coronavirus M protease from clinically approved medicines
- (2020) Xin Liu et al. Journal of Genetics and Genomics
- Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China
- (2020) Chaolin Huang et al. LANCET
- A Novel Coronavirus from Patients with Pneumonia in China, 2019
- (2020) Na Zhu et al. NEW ENGLAND JOURNAL OF MEDICINE
- Simple Selection Procedure to Distinguish between Static and Flexible Loops
- (2020) Karolina Mitusińska et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- 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
- From SARS to MERS, Thrusting Coronaviruses into the Spotlight
- (2019) Zhiqi Song et al. Viruses-Basel
- NetSurfP-2.0: Improved prediction of protein structural features by integrated deep learning
- (2019) Michael Schantz Klausen et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Rapid covalent-probe discovery by electrophile-fragment screening
- (2019) Efrat Resnick et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Distant Non-Obvious Mutations Influence the Activity of a Hyperthermophilic Pyrococcus furiosus Phosphoglucose Isomerase
- (2019) Kalyanasundaram Subramanian et al. Biomolecules
- AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective
- (2019) Tomasz Magdziarz et al. BIOINFORMATICS
- Origin and evolution of pathogenic coronaviruses
- (2018) Jie Cui et al. NATURE REVIEWS MICROBIOLOGY
- The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery
- (2017) Francesca Spyrakis et al. JOURNAL OF MEDICINAL CHEMISTRY
- What makes it difficult to refine protein models further via molecular dynamics simulations?
- (2017) Lim Heo et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Structure-based virtual screening and experimental validation of the discovery of inhibitors targeted towards the human coronavirus nucleocapsid protein
- (2016) Chung-ke Chang et al. Molecular BioSystems
- Coronaviruses — drug discovery and therapeutic options
- (2016) Alimuddin Zumla et al. NATURE REVIEWS DRUG DISCOVERY
- Inferring the hosts of coronavirus using dual statistical models based on nucleotide composition
- (2015) Qin Tang et al. Scientific Reports
- Structures of theMiddle East respiratory syndrome coronavirus3C-like protease reveal insights into substrate specificity
- (2015) Danielle Needle et al. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- PARS: a web server for the prediction of Protein Allosteric and Regulatory Sites
- (2014) Alejandro Panjkovich et al. BIOINFORMATICS
- 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
- Placevent: An algorithm for prediction of explicit solvent atom distribution-Application to HIV-1 protease and F-ATP synthase
- (2012) Daniel J. Sindhikara et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations
- (2012) R. Anandakrishnan et al. NUCLEIC ACIDS RESEARCH
- The Role of Water Molecules in Computational Drug Design
- (2010) Stephanie de Beer et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Essential covalent linkage between the chymotrypsin-like domain and the extra domain of the SARS-CoV main protease
- (2010) Meng-Ying Tsai et al. JOURNAL OF BIOCHEMISTRY
- Maturation Mechanism of Severe Acute Respiratory Syndrome (SARS) Coronavirus 3C-like Proteinase
- (2010) Chunmei Li et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- ChemSpider: An Online Chemical Information Resource
- (2010) Harry E. Pence et al. JOURNAL OF CHEMICAL EDUCATION
- Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber
- (2010) Tyler Luchko et al. Journal of Chemical Theory and Computation
- 3DM: Systematic analysis of heterogeneous superfamily data to discover protein functionalities
- (2010) Remko K. Kuipers et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Coronavirus Genomics and Bioinformatics Analysis
- (2010) Patrick C. Y. Woo et al. Viruses-Basel
- BLAST+: architecture and applications
- (2009) Christiam Camacho et al. BMC BIOINFORMATICS
- PACKMOL: A package for building initial configurations for molecular dynamics simulations
- (2009) L. Martínez et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- 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
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