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。Docking and scoring for nucleic acid-ligand interactions: Principles and current status
Yuyu Feng et al.
DRUG DISCOVERY TODAY (2022)
RNA-ligand molecular docking: Advances and challenges
Yuanzhe Zhou et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2022)
Synthesis and Biological Evaluation of 3-(Pyridine-3-yl)-2-Oxazolidinone Derivatives as Antibacterial Agents
Bo Jin et al.
FRONTIERS IN CHEMISTRY (2022)
Protein-Based Virtual Screening Tools Applied for RNA-Ligand Docking Identify New Binders of the preQ1-Riboswitch
Elisabeth Kallert et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2022)
Evaluating Molecular Docking Software for Small Molecule Binding to G-Quadruplex DNA
Jonathan Dickerhoff et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)
AnnapuRNA: A scoring function for predicting RNA-small molecule binding poses
Filip Stefaniak et al.
PLOS COMPUTATIONAL BIOLOGY (2021)
NLDock: a Fast Nucleic Acid-Ligand Docking Algorithm for Modeling RNA/DNA-Ligand Complexes
Yuyu Feng et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2021)
Current Landscape and Future Perspective of Oxazolidinone Scaffolds Containing Antibacterial Drugs
Qianqian Zhao et al.
JOURNAL OF MEDICINAL CHEMISTRY (2021)
Investigation of radezolid interaction with non-canonical chloramphenicol binding site by molecular dynamics simulations
G. Makarov et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2021)
The Protein Imager: a full-featured online molecular viewer interface with server-side HQ-rendering capabilities
Gianluca Tomasello et al.
BIOINFORMATICS (2020)
A noncanonical binding site of linezolid revealed via molecular dynamics simulations
G. I. Makarov et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2020)
RNAPosers: Machine Learning Classifiers for Ribonucleic Acid-Ligand Poses
Sahil Chhabra et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
The HDOCK server for integrated protein-protein docking
Yumeng Yan et al.
NATURE PROTOCOLS (2020)
Assessing Molecular Docking Tools to Guide Targeted Drug Discovery of CD38 Inhibitors
Eric D. Boittier et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2020)
How 'Protein-Docking' Translates into the New Emerging Field of Docking Small Molecules to Nucleic Acids?
Francesca Tessaro et al.
MOLECULES (2020)
RLDOCK: A New Method for Predicting RNA-Ligand Interactions
Li-Zhen Sun et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
ITScore-NL: An Iterative Knowledge-Based Scoring Function for Nucleic Acid-Ligand Interactions
Yuyu Feng et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Characterization of the Core Ribosomal Binding Region for the Oxazolidone Family of Antibiotics Using Cryo-EM
Alexander Wright et al.
ACS PHARMACOLOGY & TRANSLATIONAL SCIENCE (2020)
Machine Learning Methods in Drug Discovery
Lauv Patel et al.
MOLECULES (2020)
Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies
M. Habib Rahuman et al.
HELIYON (2020)
cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria
Matthew J. Belousoff et al.
CHEMMEDCHEM (2019)
Challenges and current status of computational methods for docking small molecules to nucleic acids
Jiaying Luo et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2019)
HNADOCK: a nucleic acid docking server for modeling RNA/DNA-RNA/DNA 3D complex structures
Jiahua He et al.
NUCLEIC ACIDS RESEARCH (2019)
Structural basis of translation inhibition by cadazolid, a novel quinoxolidinone antibiotic
Alain Scaiola et al.
SCIENTIFIC REPORTS (2019)
Synthesis and antibacterial evaluation of novel oxazolidinone derivatives containing a piperidinyl moiety
Yunlei Hou et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2019)
POAP: A GNU parallel based multithreaded pipeline of open babel and AutoDock suite for boosted high throughput virtual screening
A. Samdani et al.
COMPUTATIONAL BIOLOGY AND CHEMISTRY (2018)
Design, Synthesis, and Antibacterial Evaluation of Oxazolidinones with Fused Heterocyclic C-Ring Substructure (vol 8, pg 1153, 2017)
Mahesh S. Deshmukh et al.
ACS MEDICINAL CHEMISTRY LETTERS (2018)
SPA-LN: a scoring function of ligand-nucleic acid interactions via optimizing both specificity and affinity
Zhiqiang Yan et al.
NUCLEIC ACIDS RESEARCH (2017)
Discovery of Fluorine-Containing Benzoxazinyl-oxazolidinones for the Treatment of Multidrug Resistant Tuberculosis
Hongyi Zhao et al.
ACS MEDICINAL CHEMISTRY LETTERS (2017)
NPDock: a web server for protein-nucleic acid docking
Irina Tuszynska et al.
NUCLEIC ACIDS RESEARCH (2015)
Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus
Zohar Eyal et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)
New potent antibacterials against Gram-positive multiresistant pathogens: Effects of side chain modification and chirality in linezolid-like 1,2,4-oxadiazoles
Cosimo G. Fortuna et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2014)
rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids
Sergio Ruiz-Carmona et al.
PLOS COMPUTATIONAL BIOLOGY (2014)
Determinants of the species selectivity of oxazolidinone antibiotics targeting the large ribosomal subunit
Jagmohan S. Saini et al.
BIOLOGICAL CHEMISTRY (2013)
Solubility-Driven Optimization of (Pyridin-3-yl) Benzoxazinyl-oxazolidinones Leading to a Promising Antibacterial Agent
Bin Guo et al.
JOURNAL OF MEDICINAL CHEMISTRY (2013)
LigandRNA: computational predictor of RNA-ligand interactions
Anna Philips et al.
RNA (2013)
Resistance to Linezolid Caused by Modifications at Its Binding Site on the Ribosome
Katherine S. Long et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2012)
Primordial soup or vinaigrette: did the RNA world evolve at acidic pH?
Harold S. Bernhardt et al.
BIOLOGY DIRECT (2012)
Novel Insights of Structure-Based Modeling for RNA-Targeted Drug Discovery
Lu Chen et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Synthesis and Stereospecificity of 4,5-Disubstituted Oxazolidinone Ligands Binding to T-box Riboswitch RNA
Crina M. Orac et al.
JOURNAL OF MEDICINAL CHEMISTRY (2011)
Design, Synthesis, and Structure-Activity Relationship Studies of Highly Potent Novel Benzoxazinyl-Oxazolidinone Antibacterial Agents
Qisheng Xin et al.
JOURNAL OF MEDICINAL CHEMISTRY (2011)
Identification of RNA Pseudoknot-Binding Ligand That Inhibits the-1 Ribosomal Frameshifting of SARS-Coronavirus by Structure-Based Virtual Screening
So-Jung Park et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Structure-Activity Relationships of Diverse Oxazolidinones for Linezolid-Resistant Staphylococcus aureus Strains Possessing the cfr Methyltransferase Gene or Ribosomal Mutations
Jeffrey B. Locke et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2010)
How antibiotics kill bacteria: from targets to networks
Michael A. Kohanski et al.
NATURE REVIEWS MICROBIOLOGY (2010)
Revisiting the structures of several antibiotics bound to the bacterial ribosome
David Bulkley et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Linezolid Resistance in Staphylococci
Stefania Stefani et al.
PHARMACEUTICALS (2010)
Mode of Action of Ranbezolid against Staphylococci and Structural Modeling Studies of Its Interaction with Ribosomes
Vandana Kalia et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2009)
AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
Garrett M. Morris et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
DOCK 6: Combining techniques to model RNA-small molecule complexes
P. Therese Lang et al.
RNA (2009)
Combining docking with pharmacophore filtering for improved virtual screening
Megan L. Peach et al.
JOURNAL OF CHEMINFORMATICS (2009)
Design at the atomic level: Design of biaryloxazolidinones as potent orally active antibiotics
Jiacheng Zhou et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2008)
Crystal structure of the oxazolidinone antibiotic linezolid bound to the 50S ribosomal subunit
Joseph A. Ippolito et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Pharao: Pharmacophore alignment and optimization
Jonatan Taminau et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2008)
The oxazolidinone antibiotics perturb the ribosomal peptidyl-transferase center and effect tRNA positioning
Daniel N. Wilson et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Structure of the deacetylase LpxC bound to the antibiotic CHIR-090: Time-dependent inhibition and specificity in ligand binding
Adam W. Barb et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
DrugScoreRNA -: Knowledge-based scoring function to predict RNA-ligand interactions
Patrick Pfeffer et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
The site of action of oxazolidinone antibiotics in living bacteria and in human mitochondria
Karen L. Leach et al.
MOLECULAR CELL (2007)
Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0
Christopher R. Corbeil et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
3D QSAR studies of N-4-arylacryloylpiperazin-1-yl-phenyloxazolidinones:: A novel class of antibacterial agents
BB Lohray et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2006)
Structure-based drug design meets the ribosome
F Franceschi et al.
BIOCHEMICAL PHARMACOLOGY (2006)
Docking of Aminoglycosides to hydrated and flexible RNA
N Moitessier et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
3D QSAR analysis of oxazolidinone antibacterials: can we predict?
Neha Gandhi
ARKIVOC (2006)
Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
RA Friesner et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
UCSF chimera - A visualization system for exploratory research and analysis
EF Pettersen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Antipneumococcal and antistaphylococcal activities of ranbezolid (RBX 7644), a new oxazolidinone, compared to those of other agents
DB Hoellman et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2003)
Structural basis of the ribosomal machinery for peptide bond formation, translocation, and nascent chain progression
A Bashan et al.
MOLECULAR CELL (2003)
Oxazolidinone structure-activity relationships leading to linezolid
MR Barbachyn et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
PA Kollman et al.
ACCOUNTS OF CHEMICAL RESEARCH (2000)