Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from medicinal plants of the Andean Region: molecular docking and molecular dynamics simulations
出版年份 2020 全文链接
标题
Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from medicinal plants of the Andean Region: molecular docking and molecular dynamics simulations
作者
关键词
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出版物
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
Volume -, Issue -, Pages 1-14
出版商
Informa UK Limited
发表日期
2020-10-21
DOI
10.1080/07391102.2020.1835716
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注意：仅列出部分参考文献，下载原文获取全部文献信息。- Flavonoids as Antiviral Agents for Enterovirus A71 (EV-A71)
- (2020) Salima Lalani et al. Viruses-Basel
- Preliminary Identification of Potential Vaccine Targets for the COVID-19 Coronavirus (SARS-CoV-2) Based on SARS-CoV Immunological Studies
- (2020) Syed Faraz Ahmed et al. Viruses-Basel
- Remdesivir is a direct-acting antiviral that inhibits RNA-dependent RNA polymerase from severe acute respiratory syndrome coronavirus 2 with high potency
- (2020) Calvin J. Gordon et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Structural insights on Vitamin D receptor and screening of new potent agonist molecules: Structure and ligand-based approach
- (2020) John Marshal Jayaraj et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- A Trial of Lopinavir–Ritonavir in Adults Hospitalized with Severe Covid-19
- (2020) Bin Cao et al. NEW ENGLAND JOURNAL OF MEDICINE
- Structure of the RNA-dependent RNA polymerase from COVID-19 virus
- (2020) Yan Gao et al. SCIENCE
- Experimental Treatment with Favipiravir for COVID-19: An Open-Label Control Study
- (2020) Qingxian Cai et al. Engineering
- The FDA-approved drug ivermectin inhibits the replication of SARS-CoV-2 in vitro
- (2020) Leon Caly et al. ANTIVIRAL RESEARCH
- Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study
- (2020) Abdo A. Elfiky LIFE SCIENCES
- Benefits of Hesperidin for Cutaneous Functions
- (2019) Mao-Qiang Man et al. Evidence-based Complementary and Alternative Medicine
- Mechanism of Action and Biofilm Inhibitory Activity of Lupinifolin Against Multidrug-Resistant Enterococcal Clinical Isolates
- (2019) Wipawadee Sianglum et al. Microbial Drug Resistance
- Structure of the SARS-CoV nsp12 polymerase bound to nsp7 and nsp8 co-factors
- (2019) Robert N. Kirchdoerfer et al. Nature Communications
- Absorption and Metabolic Behavior of Hesperidin (Rutinosylated Hesperetin) after Single Oral Administration to Sprague-Dawley Rats
- (2019) Alexia M. Nectoux et al. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
- Inhibition of SARS-CoV 3CL protease by flavonoids
- (2019) Seri Jo et al. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
- Chloroquine inhibits autophagic flux by decreasing autophagosome-lysosome fusion
- (2018) Mario Mauthe et al. Autophagy
- CASTp 3.0: computed atlas of surface topography of proteins
- (2018) Wei Tian et al. NUCLEIC ACIDS RESEARCH
- Molecular dynamics simulations and novel drug discovery
- (2017) Xuewei Liu et al. Expert Opinion on Drug Discovery
- Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations
- (2017) Kai Liu et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
- (2017) Antoine Daina et al. Scientific Reports
- BDDCS, the Rule of 5 and drugability
- (2016) Leslie Z. Benet et al. ADVANCED DRUG DELIVERY REVIEWS
- 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
- Lupinifolin from Derris reticulata possesses bactericidal activity on Staphylococcus aureus by disrupting bacterial cell membrane
- (2016) Kamol Yusook et al. Journal of Natural Medicines
- Hydrogen Bond Dynamic Propensity Studies for Protein Binding and Drug Design
- (2016) Cintia A. Menéndez et al. PLoS One
- In vitro bioavailability and cellular bioactivity studies of flavonoids and flavonoid-rich plant extracts: questions, considerations and future perspectives
- (2016) Gerard Bryan Gonzales PROCEEDINGS OF THE NUTRITION SOCIETY
- pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
- (2015) Douglas E. V. Pires et al. JOURNAL OF MEDICINAL CHEMISTRY
- Chemical constituents and biological activities ofAlbizia myriophyllawood
- (2015) Nantiya Joycharat et al. PHARMACEUTICAL BIOLOGY
- Prenylation modulates the bioavailability and bioaccumulation of dietary flavonoids
- (2014) Junji Terao et al. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
- Biodiversity Patterns and Continental Insularity in the Tropical High Andes
- (2014) Fabien Anthelme et al. ARCTIC ANTARCTIC AND ALPINE RESEARCH
- g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations
- (2014) Rashmi Kumari et al. Journal of Chemical Information and Modeling
- Antitumor and Antiviral Activity of Pentacyclic Triterpenes
- (2014) Roman Paduch et al. MINI-REVIEWS IN ORGANIC CHEMISTRY
- Diversity patterns of selected Andean plant groups correspond to topography and habitat dynamics, not orogeny
- (2014) Jens Mutke et al. Frontiers in Genetics
- CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
- (2013) Jing Huang et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Conformational Sampling of Flexible Ligand-binding Protein Loops
- (2012) Gyu-Rie Lee et al. BULLETIN OF THE KOREAN CHEMICAL SOCIETY
- In silico Prediction of Total Human Plasma Clearance
- (2012) Giuliano Berellini et al. Journal of Chemical Information and Modeling
- Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges
- (2012) K. Vanommeslaeghe et al. Journal of Chemical Information and Modeling
- Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing
- (2012) K. Vanommeslaeghe et al. Journal of Chemical Information and Modeling
- Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model
- (2011) Krishna Ravindranathan et al. Journal of Chemical Theory and Computation
- Open Babel: An open chemical toolbox
- (2011) Noel M O'Boyle et al. Journal of Cheminformatics
- Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models
- (2010) Pär Bjelkmar et al. Journal of Chemical Theory and Computation
- Contrasting plant diversification histories within the Andean biodiversity hotspot
- (2010) R. T. Pennington et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Binding Estimation after Refinement, a New Automated Procedure for the Refinement and Rescoring of Docked Ligands in Virtual Screening
- (2009) Giulio Rastelli et al. Chemical Biology & Drug Design
- AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
- (2009) Oleg Trott et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Cytotoxic and Antimycobacterial Prenylated Flavonoids from the Roots ofEriosema chinense
- (2009) Somyote Sutthivaiyakit et al. JOURNAL OF NATURAL PRODUCTS
- Radius of gyration as an indicator of protein structure compactness
- (2008) M. Yu. Lobanov et al. MOLECULAR BIOLOGY
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