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Targeting against HIV/HCV Co-infection using Machine Learning-based multitarget-quantitative structure-activity relationships (mt-QSAR) Methods

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

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Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule
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RNA-Dependent RNA Polymerase
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Molecular Similarity Measures
inferredcites →https://doi.org/10.1007/s00044-016-1701-0openalex-snapshot
3D-QSAR and docking studies of HIV-1 protease inhibitors using R-group search and Surflex-dock
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Synthesis and biological evaluation of 99mTc-DHPM complex: a potential new radiopharmaceutical for lung imaging studies
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Evaluating unsupervised and supervised image classification methods for mapping cotton root rot
inferredcites →https://doi.org/10.1007/s11904-010-0071-3openalex-snapshot
HIV/HCV Co-infection: Pathogenesis, Clinical Complications, Treatment, and New Therapeutic Technologies
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Novel dimeric aryldiketo containing inhibitors of HIV-1 integrase: Effects of the phenyl substituent and the linker orientation
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Identification of novel inhibitors of HCV RNA-dependent RNA polymerase by pharmacophore-based virtual screening and in vitro evaluation
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Design and synthesis of photoactivatable aryl diketo acid-containing HIV-1 integrase inhibitors as potential affinity probes
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Active site inhibitors of HCV NS5B polymerase. The development and pharmacophore of 2-thienyl-5,6-dihydroxypyrimidine-4-carboxylic acid
inferredcites →https://doi.org/10.1016/j.bmcl.2005.05.101openalex-snapshot
Synthesis and antiviral activities of novel N-alkoxy-arylsulfonamide-based HIV protease inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2010.10.071openalex-snapshot
Synthesis and biological evaluations of P4-benzoxaborole-substituted macrocyclic inhibitors of HCV NS3 protease
inferredcites →https://doi.org/10.1016/j.bmcl.2012.05.120openalex-snapshot
Enamino-oxindole HIV protease inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2013.12.058openalex-snapshot
Structure–activity relationships of diamine inhibitors of cytochrome P450 (CYP) 3A as novel pharmacoenhancers, part I: Core region
inferredcites →https://doi.org/10.1016/j.cageo.2005.03.018openalex-snapshot
Bayesian network classifiers for mineral potential mapping
inferredcites →https://doi.org/10.1016/j.cbpa.2008.01.044openalex-snapshot
Computational analysis of ligand relationships within target families
inferredcites →https://doi.org/10.1016/j.ejmech.2010.05.070openalex-snapshot
Tricyclononene carboxamide derivatives as novel anti-HIV-1 agents
inferredcites →https://doi.org/10.1016/j.ejmech.2010.11.033openalex-snapshot
2-Hydroxyisoquinoline-1,3(2H,4H)-diones as inhibitors of HIV-1 integrase and reverse transcriptase RNase H domain: Influence of the alkylation of position 4
inferredcites →https://doi.org/10.1016/j.ejmech.2011.08.028openalex-snapshot
Synthesis and SAR optimization of diketo acid pharmacophore for HCV NS5B polymerase inhibition
inferredcites →https://doi.org/10.1016/j.ejmech.2015.06.054openalex-snapshot
Multistage virtual screening and identification of novel HIV-1 protease inhibitors by integrating SVM, shape, pharmacophore and docking methods
inferredcites →https://doi.org/10.1016/j.ejmech.2016.03.005openalex-snapshot
New pseudodimeric aurones as palm pocket inhibitors of Hepatitis C virus RNA-dependent RNA polymerase
inferredcites →https://doi.org/10.1016/j.tet.2014.03.038openalex-snapshot
Structural optimization of cyclic sulfonamide based novel HIV-1 protease inhibitors to picomolar affinities guided by X-ray crystallographic analysis
inferredcites →https://doi.org/10.1016/s0960-894x(01)00323-7openalex-snapshot
Development of specific CXCR4 inhibitors possessing high selectivity indexes as well as complete stability in serum based on an anti-HIV peptide T140
inferredcites →https://doi.org/10.1016/s0960-894x(02)00220-2openalex-snapshot
Structure-based design and synthesis of HIV-1 protease inhibitors employing β-d-mannopyranoside scaffolds
inferredcites →https://doi.org/10.1016/s0960-894x(03)00059-3openalex-snapshot
Azido-Containing aryl β-Diketo acid HIV-1 integrase inhibitors
inferredcites →https://doi.org/10.1016/s0960-894x(99)00237-1openalex-snapshot
Nonpeptidic HIV protease inhibitors: 6-alkyl-5, 6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl, 5-methylphenyl thio) moiety: Antiviral activities and pharmacokinetic properties
inferredcites →https://doi.org/10.1021/acs.jmedchem.5b00109openalex-snapshot
The N-Terminal T–T Motif of a Third-Generation HIV-1 Fusion Inhibitor Is Not Required for Binding Affinity and Antiviral Activity
inferredcites →https://doi.org/10.1021/acsmedchemlett.5b00036openalex-snapshot
Pyrazolo-Piperidines Exhibit Dual Inhibition of CCR5/CXCR4 HIV Entry and Reverse Transcriptase
inferredcites →https://doi.org/10.1021/acsmedchemlett.5b00425openalex-snapshot
Discovery of MK-8831, A Novel Spiro-Proline Macrocycle as a Pan-Genotypic HCV-NS3/4a Protease Inhibitor
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
inferredcites →https://doi.org/10.1021/ci049641uopenalex-snapshot
Virtual Screening of Molecular Databases Using a Support Vector Machine
inferredcites →https://doi.org/10.1021/ci100050topenalex-snapshot
Extended-Connectivity Fingerprints
inferredcites →https://doi.org/10.1021/ci200264hopenalex-snapshot
Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation
inferredcites →https://doi.org/10.1021/ci400644ropenalex-snapshot
Multiple e-Pharmacophore Modeling, 3D-QSAR, and High-Throughput Virtual Screening of Hepatitis C Virus NS5B Polymerase Inhibitors
inferredcites →https://doi.org/10.1021/ci500574nopenalex-snapshot
Discovery of Multitarget-Directed Ligands against Alzheimer’s Disease through Systematic Prediction of Chemical–Protein Interactions
inferredcites →https://doi.org/10.1021/jm0303195openalex-snapshot
Classification of Kinase Inhibitors Using a Bayesian Model
inferredcites →https://doi.org/10.1021/jm0342109openalex-snapshot
Discovery of α,γ-Diketo Acids as Potent Selective and Reversible Inhibitors of Hepatitis C Virus NS5b RNA-Dependent RNA Polymerase
inferredcites →https://doi.org/10.1021/jm040072ropenalex-snapshot
Design of Non-nucleoside Inhibitors of HIV-1 Reverse Transcriptase with Improved Drug Resistance Properties. 2.
inferredcites →https://doi.org/10.1021/jm0504454openalex-snapshot
Simple but Highly Effective Three-Dimensional Chemical-Feature-Based Pharmacophore Model for Diketo Acid Derivatives as Hepatitis C Virus RNA-Dependent RNA Polymerase Inhibitors
inferredcites →https://doi.org/10.1021/jm060168gopenalex-snapshot
Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site
inferredcites →https://doi.org/10.1021/jm060193mopenalex-snapshot
From Ligand to Complexes: Inhibition of Human Immunodeficiency Virus Type 1 Integrase by β-Diketo Acid Metal Complexes
inferredcites →https://doi.org/10.1021/jm070512popenalex-snapshot
Rationally Designed Dual Inhibitors of HIV Reverse Transcriptase and Integrase
inferredcites →https://doi.org/10.1021/jm5001503openalex-snapshot
Basic Quinolinonyl Diketo Acid Derivatives as Inhibitors of HIV Integrase and their Activity against RNase H Function of Reverse Transcriptase
inferredcites →https://doi.org/10.1021/jm950874+openalex-snapshot
Discovery of Novel, Non-Peptide HIV-1 Protease Inhibitors by Pharmacophore Searching
inferredcites →https://doi.org/10.1021/jm960228qopenalex-snapshot
Structure-Based Design of HIV Protease Inhibitors: 5,6-Dihydro-4-hydroxy-2-pyrones as Effective, Nonpeptidic Inhibitors
inferredcites →https://doi.org/10.1021/jm970873copenalex-snapshot
New Aza-Dipeptide Analogues as Potent and Orally Absorbed HIV-1 Protease Inhibitors: Candidates for Clinical Development
inferredcites →https://doi.org/10.1021/jm9800806openalex-snapshot
Pyrimidine Thioethers: A Novel Class of HIV-1 Reverse Transcriptase Inhibitors with Activity Against BHAP-Resistant HIV
inferredcites →https://doi.org/10.1021/ml500002nopenalex-snapshot
Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1
inferredcites →https://doi.org/10.1021/mp800102copenalex-snapshot
Alignment-Free Prediction of a Drug−Target Complex Network Based on Parameters of Drug Connectivity and Protein Sequence of Receptors
inferredcites →https://doi.org/10.1038/nbt1284openalex-snapshot
Relating protein pharmacology by ligand chemistry
inferredcites →https://doi.org/10.1038/sj.bjp.0707307openalex-snapshot
Chemogenomic approaches to rational drug design
inferredcites →https://doi.org/10.1039/c2mb25110hopenalex-snapshot
Prediction of chemical–protein interactions: multitarget-QSAR versus computational chemogenomic methods
inferredcites →https://doi.org/10.1074/jbc.m610207200openalex-snapshot
Phenotypic and Structural Analyses of Hepatitis C Virus NS3 Protease Arg155 Variants
inferredcites →https://doi.org/10.1093/bioinformatics/btn409openalex-snapshot
Protein-ligand interaction prediction: an improved chemogenomics approach
inferredcites →https://doi.org/10.1093/bioinformatics/bts249openalex-snapshot
DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets
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/gkn285openalex-snapshot
Superimpose: a 3D structural superposition server
inferredcites →https://doi.org/10.1093/nar/gkr1132openalex-snapshot
PubChem's BioAssay Database
inferredcites →https://doi.org/10.1093/nar/gkx1076openalex-snapshot
Therapeutic target database update 2018: enriched resource for facilitating bench-to-clinic research of targeted therapeutics
inferredcites →https://doi.org/10.1093/nar/gkx374openalex-snapshot
PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database
inferredcites →https://doi.org/10.1097/00002030-200409030-00003openalex-snapshot
Peginterferon alfa-2b plus ribavirin compared with interferon alfa-2b plus ribavirin for treatment of HIV/HCV co-infected patients
inferredcites →https://doi.org/10.1101/gr.1239303openalex-snapshot
Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks
inferredcites →https://doi.org/10.1128/aac.00392-09openalex-snapshot
Anti-Human Immunodeficiency Virus Activity, Cross-Resistance, Cytotoxicity, and Intracellular Pharmacology of the 3′-Azido-2′,3′-Dideoxypurine Nucleosides
inferredcites →https://doi.org/10.1128/aac.01008-06openalex-snapshot
Development of a Novel Dicistronic Reporter-Selectable Hepatitis C Virus Replicon Suitable for High-Throughput Inhibitor Screening
inferredcites →https://doi.org/10.1128/aac.01209-10openalex-snapshot
In VitroAntiretroviral Properties of S/GSK1349572, a Next-Generation HIV Integrase Inhibitor
inferredcites →https://doi.org/10.1128/jvi.76.7.3482-3492.2002openalex-snapshot
Structural Analysis of the Hepatitis C Virus RNA Polymerase in Complex with Ribonucleotides
inferredcites →https://doi.org/10.1128/jvi.77.13.7575-7581.2003openalex-snapshot
Crystallographic Identification of a Noncompetitive Inhibitor Binding Site on the Hepatitis C Virus NS5B RNA Polymerase Enzyme
inferredcites →https://doi.org/10.1186/1758-2946-4-s1-p2openalex-snapshot
DecoyFinder, a tool for finding decoy molecules
inferredcites →https://doi.org/10.1186/s13321-015-0069-3openalex-snapshot
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
inferredcites →https://doi.org/10.1371/journal.pone.0148181openalex-snapshot
Discovery of Novel Hepatitis C Virus NS5B Polymerase Inhibitors by Combining Random Forest, Multiple e-Pharmacophore Modeling and Docking
inferredcites →https://doi.org/10.1385/1-59259-802-1:001openalex-snapshot
Molecular Similarity Measures
inferredcites →https://doi.org/10.1517/17460441.2016.1117070openalex-snapshot
An overview of molecular fingerprint similarity search in virtual screening
inferredcites →https://doi.org/10.4304/jsw.7.10.2252-2257openalex-snapshot
Improving SVM through a Risk Decision Rule Running on MATLAB

What points at this work

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

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