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。Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach
Ashish M. Kanhed et al.
MOLECULAR DIVERSITY (2021)
In silicoDrug Repurposing for COVID-19: Targeting SARS-CoV-2 Proteins through Docking and Consensus Ranking
Claudio N. Cavasotto et al.
MOLECULAR INFORMATICS (2021)
Characteristics of SARS-CoV-2 and COVID-19
Ben Hu et al.
NATURE REVIEWS MICROBIOLOGY (2021)
RNA-dependent RNA polymerase (RdRp) inhibitors: The current landscape and repurposing for the COVID-19 pandemic
Lei Tian et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2021)
Functional and druggability analysis of the SARS-CoV-2 proteome
Claudio N. Cavasotto et al.
EUROPEAN JOURNAL OF PHARMACOLOGY (2021)
In silico Screening of Natural Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike RBD: Targets for COVID-19
Divya M. Teli et al.
FRONTIERS IN MOLECULAR BIOSCIENCES (2021)
A pneumonia outbreak associated with a new coronavirus of probable bat origin
Peng Zhou et al.
NATURE (2020)
Insights into the Recent 2019 Novel Coronavirus (SARS-CoV-2) in Light of Past Human Coronavirus Outbreaks
Hossam M. Ashour et al.
PATHOGENS (2020)
Structure of the RNA-dependent RNA polymerase from COVID-19 virus
Yan Gao et al.
SCIENCE (2020)
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
Linlin Zhang et al.
SCIENCE (2020)
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
Zhenming Jin et al.
NATURE (2020)
Natural products and their derivatives against coronavirus: A review of the non-clinical and pre-clinical data
Muhammad T. Islam et al.
PHYTOTHERAPY RESEARCH (2020)
The development of Coronavirus 3C-Like protease (3CLpro) inhibitors from 2010 to 2020
Yuzhi Liu et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2020)
Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: anin silicorepurposing study
Witor Ribeiro Ferraz et al.
FUTURE MEDICINAL CHEMISTRY (2020)
Drug Discovery Strategies for SARS-CoV-2
Zeenat A. Shyr et al.
JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS (2020)
A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS-CoV-2
Verena Battisti et al.
MOLECULAR INFORMATICS (2020)
Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design
Franz-Josef Meyer-Almes
COMPUTATIONAL BIOLOGY AND CHEMISTRY (2020)
A review of therapeutic agents and Chinese herbal medicines against SARS-COV-2 (COVID-19)
Fangfang Huang et al.
PHARMACOLOGICAL RESEARCH (2020)
Druggable targets from coronaviruses for designing new antiviral drugs
Leandro Rocha Silva et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2020)
Natural products' role against COVID-19
Ananda da Silva Antonio et al.
RSC ADVANCES (2020)
Structure-based design, synthesis and biological evaluation of a newer series of pyrazolo[1,5-a]pyrimidine analogues as potential anti-tubercular agents
Palmi Modi et al.
BIOORGANIC CHEMISTRY (2019)
Synthesis, homology modeling, molecular docking, dynamics, and antifungal screening of new 4-hydroxycoumarin derivatives as potential chitinase inhibitors
Rasha Z. Batran et al.
JOURNAL OF MOLECULAR STRUCTURE (2019)
Insights into the application of polyhydroxyalkanoates derivatives from the combination of experimental and simulation approaches
Maykel Gonzalez Torres et al.
JOURNAL OF MOLECULAR STRUCTURE (2019)
Benzo[d]thiazole-2-carbanilides as new anti-TB chemotypes: Design, synthesis, biological evaluation, and structure-activity relationship
Tejas M. Dhameliya et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2018)
Carbonic anhydrase inhibition of Schiff base derivative of imino-methyl-naphthalen-2-ol: Synthesis, structure elucidation, molecular docking, dynamic simulation and density functional theory calculations
Saghir Abbas et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
Jing Huang et al.
NATURE METHODS (2017)
Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift
Talambedu Usha et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2017)
Synthesis, biological evaluation and structure-activity relationship of 2-styrylquinazolones as anti-tubercular agents
Pradeep S. Jadhavar et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2016)
Benzo[d]thiazol-2-yl(piperazin-1-yl)methanones as new anti-mycobacterial chemotypes: Design, synthesis, biological evaluation and 3D-QSAR studies
Sahaj Pancholia et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2016)
N-Arylalkylbenzo[d]thiazole-2-carboxamides as anti-mycobacterial agents: design, new methods of synthesis and biological evaluation
Parth Shah et al.
MEDCHEMCOMM (2014)
Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations
Wenbo Yu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Druggability Analysis and Structural Classification of Bromodomain Acetyl-lysine Binding Sites
Lewis R. Vidler et al.
JOURNAL OF MEDICINAL CHEMISTRY (2012)
Molecular dynamics simulations and drug discovery
Jacob D. Durrant et al.
BMC BIOLOGY (2011)
Topology and dynamics of the interaction between 5-nitroimidazole radiosensitizers and duplex DNA studied by a combination of docking, molecular dynamic simulations and NMR spectroscopy
Teodorico C. Ramalho et al.
JOURNAL OF MOLECULAR STRUCTURE (2011)
Drug discovery beyond the 'rule-of-five'
Ming-Qiang Zhang et al.
CURRENT OPINION IN BIOTECHNOLOGY (2007)
Development of softcore potential functions for overcoming steric barriers in molecular dynamics simulations
V Hornak et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2004)
Subgenomic negative-strand RNA function during mouse hepatitis virus infection
RS Baric et al.
JOURNAL OF VIROLOGY (2000)