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Computational Methods to Identify New Antibacterial Targets

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/1097-0134(20010501)43:2<217::aid-prot1032>3.0.co;2-gopenalex-snapshot
Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule
inferredcites →https://doi.org/10.1007/s00894-010-0649-0openalex-snapshot
Probing the structure of Leishmania donovani chagasi DHFR-TS: comparative protein modeling and protein–ligand interaction studies
inferredcites →https://doi.org/10.1007/s00894-010-0871-9openalex-snapshot
A homology model for Clostridium difficile methionyl tRNA synthetase: active site analysis and docking interactions
inferredcites →https://doi.org/10.1016/j.ddtec.2010.11.006openalex-snapshot
3D pharmacophores as tools for activity profiling
inferredcites →https://doi.org/10.1016/j.drudis.2007.02.015openalex-snapshot
Support vector machines approach for predicting druggable proteins: recent progress in its exploration and investigation of its usefulness
inferredcites →https://doi.org/10.1016/j.jmgm.2006.08.002openalex-snapshot
Pharmacophore identification and virtual screening for methionyl-tRNA synthetase inhibitors
inferredcites →https://doi.org/10.1016/j.jprot.2011.05.011openalex-snapshot
From in silico target prediction to multi-target drug design: Current databases, methods and applications
inferredcites →https://doi.org/10.1016/j.mib.2009.07.001openalex-snapshot
New screens and targets in antibacterial drug discovery
inferredcites →https://doi.org/10.1016/j.mib.2010.09.006openalex-snapshot
Alarming β-lactamase-mediated resistance in multidrug-resistant Enterobacteriaceae
inferredcites →https://doi.org/10.1016/j.tips.2009.11.002openalex-snapshot
Recent advances and method development for drug target identification
inferredcites →https://doi.org/10.1016/j.toxlet.2005.11.017openalex-snapshot
In silico search of putative adverse drug reaction related proteins as a potential tool for facilitating drug adverse effect prediction
inferredcites →https://doi.org/10.1016/s1359-6446(04)03285-4openalex-snapshot
Antibiotics: Where did we go wrong?
inferredcites →https://doi.org/10.1016/s1359-6446(05)03666-4openalex-snapshot
The druggable genome: an update
inferredcites →https://doi.org/10.1021/ci025501dopenalex-snapshot
Structure-Based Classification of Antibacterial Activity
inferredcites →https://doi.org/10.1021/jm049131ropenalex-snapshot
Druggability Indices for Protein Targets Derived from NMR-Based Screening Data
inferredcites →https://doi.org/10.1021/jm700967eopenalex-snapshot
Physicochemical Properties of Antibacterial Compounds: Implications for Drug Discovery
inferredcites →https://doi.org/10.1038/ja.2011.44openalex-snapshot
Antibiotics in the clinical pipeline in 2011
inferredcites →https://doi.org/10.1038/nprot.2009.2openalex-snapshot
Protein structure prediction on the Web: a case study using the Phyre server
inferredcites →https://doi.org/10.1038/nrd2201openalex-snapshot
Drugs for bad bugs: confronting the challenges of antibacterial discovery
inferredcites →https://doi.org/10.1038/nrd892openalex-snapshot
The druggable genome
inferredcites →https://doi.org/10.1038/sj.bjp.0706945openalex-snapshot
Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validation
inferredcites →https://doi.org/10.1039/b303745bopenalex-snapshot
Can an in silico drug-target search method be used to probe potential mechanisms of medicinal plant ingredients?
inferredcites →https://doi.org/10.1039/b409813gopenalex-snapshot
Molecular similarity: a key technique in molecular informatics
inferredcites →https://doi.org/10.1056/nejm200012283432610openalex-snapshot
Managing Antibiotic Resistance
inferredcites →https://doi.org/10.1093/bioinformatics/bti770openalex-snapshot
The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling
inferredcites →https://doi.org/10.1093/jac/dkr262openalex-snapshot
Discovery research: the scientific challenge of finding new antibiotics
inferredcites →https://doi.org/10.1093/jac/dkt273openalex-snapshot
In silico analyses for the discovery of tuberculosis drug targets
inferredcites →https://doi.org/10.1093/nar/gkl114openalex-snapshot
TarFisDock: a web server for identifying drug targets with docking approach
inferredcites →https://doi.org/10.1093/nar/gkr1132openalex-snapshot
PubChem's BioAssay Database
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1110/ps.062238406openalex-snapshot
Peptide deformylase is a potential target for anti‐Helicobacter pylori drugs: Reverse docking, enzymatic assay, and X‐ray crystallography validation
inferredcites →https://doi.org/10.1128/cmr.00030-10openalex-snapshot
Challenges of Antibacterial Discovery
inferredcites →https://doi.org/10.1186/1471-2105-8-353openalex-snapshot
Prediction of potential drug targets based on simple sequence properties
inferredcites →https://doi.org/10.1186/1471-2105-9-104openalex-snapshot
PDTD: a web-accessible protein database for drug target identification
inferredcites →https://doi.org/10.1371/journal.pone.0032833openalex-snapshot
UniDrug-Target: A Computational Tool to Identify Unique Drug Targets in Pathogenic Bacteria
inferredcites →https://doi.org/10.2174/138620708784911483openalex-snapshot
Massively Parallel Screening of the Receptorome
inferredcites →https://doi.org/10.2174/138920307781369454openalex-snapshot
Structural Biology, Protein Conformations and Drug Designing
inferredcites →https://doi.org/10.2174/156802608786786624openalex-snapshot
Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1007/978-3-032-20253-6_9openalex-snapshot
Unveiling Drug Targets in ESKAPE Pathogens via Computational Insights
inferred← citeshttps://doi.org/10.1007/978-3-319-74974-7_11openalex-snapshot
Computational Modeling of Multidrug-Resistant Bacteria
inferred← citeshttps://doi.org/10.1007/978-981-97-8739-5_12openalex-snapshot
Screening of Microbial Biocontrol Agents Using Traditional and In Silico Approaches
inferred← citeshttps://doi.org/10.1007/s00044-016-1694-8openalex-snapshot
Synthesis and antimicrobial evaluation of 3-substituted-imine-6-hydroxy-benzofuran derivatives
inferred← citeshttps://doi.org/10.1007/s11030-025-11429-7openalex-snapshot
An integrated computational strategy for profiling terpenoid for dual-target leads against Klebsiella pneumoniae penicillin-binding protein 3 and beta-lactamase
inferred← citeshttps://doi.org/10.1007/s42452-025-06772-1openalex-snapshot
Computational advancements to facilitate therapeutic application of phytochemicals: Where do we stand?
inferred← citeshttps://doi.org/10.1016/j.drudis.2018.11.015openalex-snapshot
Meeting the discovery challenge of drug-resistant infections: progress and focusing resources
inferred← citeshttps://doi.org/10.1016/j.engmic.2026.100277openalex-snapshot
Engineering host‑defense peptides enhanced by artificial intelligence and nano delivery systems to overcome biofilms and antimicrobial resistance
inferred← citeshttps://doi.org/10.1016/j.molliq.2025.128617openalex-snapshot
Computational profiling of terpenoids for putative dual-target leads against Staphylococcus aureus penicillin binding protein 2a and beta-lactamase: An integrated structure-activity-relationship-based study
inferred← citeshttps://doi.org/10.1016/j.pmpp.2024.102523openalex-snapshot
Molecular docking and comparative transcriptome analysis of Fusarium oxysporum f.sp. cubense grown in 2,4-di-tert-butyl phenol amended medium deciphers the antifungal action of 2,4-di-tert-butyl phenol
inferred← citeshttps://doi.org/10.1016/j.sbi.2016.11.021openalex-snapshot
Computational design of ligand-binding proteins
inferred← citeshttps://doi.org/10.1016/j.sciaf.2025.e02969openalex-snapshot
In silico analysis of Moroccan medicinal plant compounds as potential inhibitors of influenza A (H3N2)
inferred← citeshttps://doi.org/10.1038/srep11948openalex-snapshot
Isolation, characterization and antifungal docking studies of wortmannin isolated from Penicillium radicum
inferred← citeshttps://doi.org/10.1080/07391102.2015.1124289openalex-snapshot
A computational study on role of 6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxane-2,4,5-triol in the regulation of blood glucose level
inferred← citeshttps://doi.org/10.1080/10799893.2017.1358283openalex-snapshot
3D-QSAR pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation toward identifying lead compounds for NS2B–NS3 protease inhibitors
inferred← citeshttps://doi.org/10.1080/17460441.2020.1767065openalex-snapshot
Antibacterial medicinal chemistry – what can we design for?
inferred← citeshttps://doi.org/10.1101/034306openalex-snapshot
In silico identification of metabolic enzyme drug targets in Burkholderia pseudomallei
inferred← citeshttps://doi.org/10.1111/cbdd.12482openalex-snapshot
Small Steps to New Drugs for Bugs
inferred← citeshttps://doi.org/10.1139/cjas-2016-0208openalex-snapshot
Genomic approaches to characterizing and reducing antimicrobial resistance in beef cattle production systems
inferred← citeshttps://doi.org/10.2174/0118715230424575250729093150openalex-snapshot
Translational Horizons in Computer-Aided Drug Discovery: Bridging In Silico Insights with One Health Challenges
inferred← citeshttps://doi.org/10.25004/ijpsdr.2021.130108openalex-snapshot
In silico prediction and molecular docking study on the interaction of bioactive compounds of Adenanthera pavonina exploring the potential antifungal activity against Candida glabrata cell wall proteins
inferred← citeshttps://doi.org/10.3390/antibiotics11050673openalex-snapshot
Synergism between the Synthetic Antibacterial and Antibiofilm Peptide (SAAP)-148 and Halicin
inferred← citeshttps://doi.org/10.3390/antibiotics5030030openalex-snapshot
The Search for Herbal Antibiotics: An In-Silico Investigation of Antibacterial Phytochemicals
inferred← citeshttps://doi.org/10.3390/ph17070886openalex-snapshot
Unveiling Moroccan Nature’s Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal Infections
inferred← citeshttps://doi.org/10.3390/plants13152136openalex-snapshot
Analysing the Antibacterial Synergistic Interactions of Romanian Lavender Essential Oils via Gas Chromatography–Mass Spectrometry: In Vitro and In Silico Approaches
inferred← citeshttps://doi.org/10.37398/jsr.2021.650121openalex-snapshot
Insilico Interaction Profile of Terminalia chebula Phytocompounds with Alpha Haemolysin of Multiple Drug Resistant Uropathogenic Escherichia coli
inferred← citeshttps://doi.org/10.9734/air/2022/v23i5912openalex-snapshot
GC-MS Analysis, Thermal Characterization and Biomedical Applications of Essential Oil from Cymbopogon martinii: In vitro Approach
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