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。Structural insights on vitamin D receptor and screening of new potent agonist molecules: structure and ligand-based approach
John Marshal Jayaraj et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Inhibition of SARS-CoV 3CL protease by flavonoids
Seri Jo et al.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2020)
Flavonoids as Antiviral Agents for Enterovirus A71 (EV-A71)
Salima Lalani et al.
VIRUSES-BASEL (2020)
Preliminary Identification of Potential Vaccine Targets for the COVID-19 Coronavirus (SARS-CoV-2) Based on SARS-CoV Immunological Studies
Syed Faraz Ahmed et al.
VIRUSES-BASEL (2020)
Remdesivir is a direct-acting antiviral that inhibits RNA-dependent RNA polymerase from severe acute respiratory syndrome coronavirus 2 with high potency
Calvin J. Gordon et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2020)
Structure of the RNA-dependent RNA polymerase from COVID-19 virus
Yan Gao et al.
SCIENCE (2020)
Remdesivir in adults with severe COVID-19: a randomised, double-blind, placebo-controlled, multicentre trial
Yeming Wang et al.
LANCET (2020)
Experimental Treatment with Favipiravir for COVID-19: An Open-Label Control Study
Qingxian Cai et al.
ENGINEERING (2020)
A Trial of Lopinavir-Ritonavir in Adults Hospitalized with Severe Covid-19
B. Cao et al.
NEW ENGLAND JOURNAL OF MEDICINE (2020)
Antiviral activities of type I interferons to SARS-CoV-2 infection
Emily Mantlo et al.
ANTIVIRAL RESEARCH (2020)
The FDA-approved drug ivermectin inhibits the replication of SARS-CoV-2 in vitro
Leon Caly et al.
ANTIVIRAL RESEARCH (2020)
Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study
Abdo A. Elfiky
LIFE SCIENCES (2020)
Sofosbuvir as a potential alternative to treat the SARS-CoV-2 epidemic
Rodrigo Jacome et al.
SCIENTIFIC REPORTS (2020)
The origin, transmission and clinical therapies on coronavirus disease 2019 (COVID-19) outbreak - an update on the status
Yan-Rong Guo et al.
MILITARY MEDICAL RESEARCH (2020)
Benefits of Hesperidin for Cutaneous Functions
Mao-Qiang Man et al.
EVIDENCE-BASED COMPLEMENTARY AND ALTERNATIVE MEDICINE (2019)
Mechanism of Action and Biofilm Inhibitory Activity of Lupinifolin Against Multidrug-Resistant Enterococcal Clinical Isolates
Wipawadee Sianglum et al.
MICROBIAL DRUG RESISTANCE (2019)
Structure of the SARS-CoV nsp12 polymerase bound to nsp7 and nsp8 co-factors
Robert N. Kirchdoerfer et al.
NATURE COMMUNICATIONS (2019)
Absorption and Metabolic Behavior of Hesperidin (Rutinosylated Hesperetin) after Single Oral Administration to Sprague-Dawley Rats
Alexia M. Nectoux et al.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2019)
Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein-protein Interactions
Ercheng Wang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Molecular dynamics simulations and novel drug discovery
Xuewei Liu et al.
EXPERT OPINION ON DRUG DISCOVERY (2018)
Chloroquine inhibits autophagic flux by decreasing autophagosome-lysosome fusion
Mario Mauthe et al.
AUTOPHAGY (2018)
CASTp 3.0: computed atlas of surface topography of proteins
Wei Tian et al.
NUCLEIC ACIDS RESEARCH (2018)
Lupinifolin from Derris reticulata possesses bactericidal activity on Staphylococcus aureus by disrupting bacterial cell membrane
Kamol Yusook et al.
JOURNAL OF NATURAL MEDICINES (2017)
In vitro bioavailability and cellular bioactivity studies of flavonoids and flavonoid-rich plant extracts: questions, considerations and future perspectives
Gerard Bryan Gonzales
PROCEEDINGS OF THE NUTRITION SOCIETY (2017)
Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations
Kai Liu et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2017)
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina et al.
SCIENTIFIC REPORTS (2017)
Chemical constituents and biological activities of Albizia myriophylla wood
Nantiya Joycharat et al.
PHARMACEUTICAL BIOLOGY (2016)
BDDCS, the Rule of 5 and drugability
Leslie Z. Benet et al.
ADVANCED DRUG DELIVERY REVIEWS (2016)
An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy
Thanigaimalai Pillaiyar et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Hydrogen Bond Dynamic Propensity Studies for Protein Binding and Drug Design
Cintia A. Menendez et al.
PLOS ONE (2016)
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
Douglas E. V. Pires et al.
JOURNAL OF MEDICINAL CHEMISTRY (2015)
Prenylation modulates the bioavailability and bioaccumulation of dietary flavonoids
Junji Terao et al.
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS (2014)
Biodiversity patterns and continental insularity in the tropical High Andes
Fabien Anthelme et al.
ARCTIC ANTARCTIC AND ALPINE RESEARCH (2014)
g_mmpbsa-A GROMACS Tool for High-Throughput MM-PBSA Calculations
Rashmi Kumari et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Antitumor and Antiviral Activity of Pentacyclic Triterpenes
Roman Paduch et al.
MINI-REVIEWS IN ORGANIC CHEMISTRY (2014)
Diversity patterns of selected Andean plant groups correspond to topography and habitat dynamics, not orogeny
Jens Mutke et al.
FRONTIERS IN GENETICS (2014)
CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
Jing Huang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
Conformational Sampling of Flexible Ligand-binding Protein Loops
Gyu Rie Lee et al.
BULLETIN OF THE KOREAN CHEMICAL SOCIETY (2012)
In silico Prediction of Total Human Plasma Clearance
Giuliano Berellini et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges
K. Vanommeslaeghe et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing
K. Vanommeslaeghe et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model
Krishna Ravindranathan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Open Babel: An open chemical toolbox
Noel M. O'Boyle et al.
JOURNAL OF CHEMINFORMATICS (2011)
Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading
Oleg Trott et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)
CHARMM General Force Field: A Force Field for Drug-Like Molecules Compatible with the CHARMM All-Atom Additive Biological Force Fields
K. Vanommeslaeghe et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)
Contrasting plant diversification histories within the Andean biodiversity hotspot
R. Toby Pennington et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Binding Estimation after Refinement, a New Automated Procedure for the Refinement and Rescoring of Docked Ligands in Virtual Screening
Giulio Rastelli et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2009)
Cytotoxic and Antimycobacterial Prenylated Flavonoids from the Roots of Eriosema chinense
Somyote Sutthivaiyakit et al.
JOURNAL OF NATURAL PRODUCTS (2009)
Radius of gyration as an indicator of protein structure compactness
M. Yu. Lobanov et al.
MOLECULAR BIOLOGY (2008)
Coronavirus pathogenesis and the emerging pathogen severe acute respiratory syndrome coronavirus
SR Weiss et al.
MICROBIOLOGY AND MOLECULAR BIOLOGY REVIEWS (2005)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Anti-SARS coronavirus 3C-like protease effects of Isatis indigotica root and plant-derived phenolic compounds
CW Lin et al.
ANTIVIRAL RESEARCH (2005)
Chloroquine is a potent inhibitor of SARS coronavirus infection and spread
Martin J. Vincent et al.
VIROLOGY JOURNAL (2005)
Anti-HIV effects of chloroquine - Inhibition of viral particle glycosylation and synergism with protease inhibitors
A Savarino et al.
JAIDS-JOURNAL OF ACQUIRED IMMUNE DEFICIENCY SYNDROMES (2004)
Implications of protein flexibility for drug discovery
SJ Teague
NATURE REVIEWS DRUG DISCOVERY (2003)
Coronavirus main proteinase (3CLpro) structure:: Basis for design of anti-SARS drugs
K Anand et al.
SCIENCE (2003)
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
PA Kollman et al.
ACCOUNTS OF CHEMICAL RESEARCH (2000)
Bioavailability and efficiency of rutin as an antioxidant: a human supplementation study
SP Boyle et al.
EUROPEAN JOURNAL OF CLINICAL NUTRITION (2000)