Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro
出版年份 2020 全文链接
标题
Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro
作者
关键词
-
出版物
BRIEFINGS IN BIOINFORMATICS
Volume -, Issue -, Pages -
出版商
Oxford University Press (OUP)
发表日期
2020-11-27
DOI
10.1093/bib/bbaa382
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- 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
- Detection of 2019 novel coronavirus (2019-nCoV) by real-time RT-PCR
- (2020) Victor M Corman et al. Eurosurveillance
- Anti-Dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibition
- (2020) Vivek Dhar Dwivedi et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding
- (2020) Roujian Lu et al. LANCET
- Therapeutic options for the 2019 novel coronavirus (2019-nCoV)
- (2020) Guangdi Li et al. NATURE REVIEWS DRUG DISCOVERY
- Outbreak of a novel coronavirus
- (2020) Andrea Du Toit NATURE REVIEWS MICROBIOLOGY
- The species Severe acute respiratory syndrome-related coronavirus: classifying 2019-nCoV and naming it SARS-CoV-2
- (2020) Nature Microbiology
- 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
- DenvInD: dengue virus inhibitors database for clinical and molecular research
- (2020) Vivek Dhar Dwivedi et al. BRIEFINGS IN BIOINFORMATICS
- From SARS to SARS-CoV-2, insights on structure, pathogenicity and immunity aspects of pandemic human coronaviruses
- (2020) Nikhil Kirtipal et al. INFECTION GENETICS AND EVOLUTION
- High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2
- (2020) Olujide O. Olubiyi et al. MOLECULES
- Bioactive natural compounds against human coronaviruses: a review and perspective
- (2020) Yanfang Xian et al. Acta Pharmaceutica Sinica B
- A Perspective on Emerging Therapeutic Interventions for COVID-19
- (2020) Muhammad Torequl Islam et al. Frontiers in Public Health
- Transmission of COVID-19 virus by droplets and aerosols: A critical review on the unresolved dichotomy
- (2020) Mahesh Jayaweera et al. ENVIRONMENTAL RESEARCH
- Computational insights into tetracyclines as inhibitors against SARS-CoV-2 Mpro via combinatorial molecular simulation calculations
- (2020) Shiv Bharadwaj et al. LIFE SCIENCES
- End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
- (2019) Ercheng Wang et al. CHEMICAL REVIEWS
- Trichormamide C Structural Confirmation through Total Synthesis and Extension to Analogs
- (2019) Laurine Darcel et al. ORGANIC LETTERS
- Integrating molecular probes and molecular dynamics to reveal binding modes of GLUT5 activatory and inhibitory ligands
- (2018) Jon Ainsley et al. CHEMICAL COMMUNICATIONS
- Origin and evolution of pathogenic coronaviruses
- (2018) Jie Cui et al. NATURE REVIEWS MICROBIOLOGY
- Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)
- (2017) Christian Kramer et al. JOURNAL OF MEDICINAL CHEMISTRY
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
- (2017) Antoine Daina et al. Scientific Reports
- 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
- Counting on natural products for drug design
- (2016) Tiago Rodrigues et al. Nature Chemistry
- Coronaviruses — drug discovery and therapeutic options
- (2016) Alimuddin Zumla et al. NATURE REVIEWS DRUG DISCOVERY
- Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol
- (2015) Zeynep Demircioğlu et al. JOURNAL OF MOLECULAR STRUCTURE
- MTiOpenScreen: a web server for structure-based virtual screening
- (2015) Céline M. Labbé et al. NUCLEIC ACIDS RESEARCH
- Performance of the MM/GBSA scoring using a binding site hydrogen bond network-based frame selection: the protein kinase case
- (2014) Francisco Adasme-Carreño et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Structure-Activity Relationship Study of Biflavonoids on the Dengue Virus Polymerase DENV-NS5 RdRp
- (2013) Paul Coulerie et al. PLANTA MEDICA
- Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem
- (2012) Holger Kruse et al. JOURNAL OF ORGANIC CHEMISTRY
- The spectroscopic (FT-Raman, FT-IR, UV and NMR), molecular electrostatic potential, polarizability and hyperpolarizability, NBO and HOMO–LUMO analysis of monomeric and dimeric structures of 4-chloro-3,5-dinitrobenzoic acid
- (2012) Mehmet Karabacak et al. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
- Inhibition of fatty acid synthase by amentoflavone reduces coxsackievirus B3 replication
- (2011) Steffi Wilsky et al. ARCHIVES OF VIROLOGY
- A comparison of crystallographic and DFT optimized geometries on two taxane diterpenoids and docking studies with phospholipase A2
- (2011) Umesh Yadava et al. MEDICINAL CHEMISTRY RESEARCH
- Biflavonoids from Torreya nucifera displaying SARS-CoV 3CLpro inhibition
- (2010) Young Bae Ryu et al. BIOORGANIC & MEDICINAL CHEMISTRY
- QM/MM Methods for Biomolecular Systems
- (2009) Hans Martin Senn et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Coronaviruses post-SARS: update on replication and pathogenesis
- (2009) Stanley Perlman et al. NATURE REVIEWS MICROBIOLOGY
- Density Functionals with Broad Applicability in Chemistry
- (2008) Yan Zhao et al. ACCOUNTS OF CHEMICAL RESEARCH
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationPublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More