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Structure-Based QSAR Analysis of a Set of 4-Hydroxy-5,6-dihydropyrones as Inhibitors of HIV-1 Protease: An Application of the Receptor-Dependent (RD) 4D-QSAR Formalism

https://doi.org/10.1021/ci050326x
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What this work says

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

inferredcites →https://doi.org/10.1016/j.pbiomolbio.2004.07.005openalex-snapshot
Adaptive inhibitors of the HIV-1 protease
inferredcites →https://doi.org/10.1021/ci010076uopenalex-snapshot
4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling
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3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis
inferredcites →https://doi.org/10.1021/ci980093sopenalex-snapshot
Four-Dimensional Quantitative Structure−Activity Relationship Analysis of a Series of Interphenylene 7-Oxabicycloheptane Oxazole Thromboxane A2 Receptor Antagonists
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Prediction of Ligand−Receptor Binding Free Energy by 4D-QSAR Analysis: Application to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase
inferredcites →https://doi.org/10.1021/ja00457a005openalex-snapshot
Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygen
inferredcites →https://doi.org/10.1021/ja9718937openalex-snapshot
Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism
inferredcites →https://doi.org/10.1021/jm0003844openalex-snapshot
4-Hydroxy-5,6-dihydropyrones as Inhibitors of HIV Protease: The Effect of Heterocyclic Substituents at C-6 on Antiviral Potency and Pharmacokinetic Parameters
inferredcites →https://doi.org/10.1021/jm010461aopenalex-snapshot
4D-QSAR Analysis of a Set of Propofol Analogues: Mapping Binding Sites for an Anesthetic Phenol on the GABAA Receptor
inferredcites →https://doi.org/10.1038/nsb0795-523openalex-snapshot
The not-so-great escape
inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot
The Protein Data Bank
inferredcites →https://doi.org/10.2165/00003088-199732030-00003openalex-snapshot
Protease Inhibitors in Patients with HIV Disease

What points at this work

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

inferred← citeshttps://doi.org/10.1002/0471266949.bmc001.pub2openalex-snapshot
History of Quantitative Structure–Activity Relationships
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New Types of Descriptors and Models in QSAR/QSPR
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Recent Advances in the Field of Naturally Occurring 5,6‐Dihydropyran‐2‐ones
inferred← citeshttps://doi.org/10.1002/chin.200617224openalex-snapshot
Structure‐Based QSAR Analysis of a Set of 4‐Hydroxy‐5,6‐dihydropyrones as Inhibitors of HIV‐1 Protease: An Application of the Receptor‐Dependent (RD) 4D‐QSAR Formalism.
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Constructing and Validating 3D-pharmacophore Models to a Set of MMP-9 Inhibitors for Designing Novel Anti-melanoma Agents
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Transformation of QSAR by AI and ML
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Synthesis, molecular docking studies, and in vitro screening of barbiturates/thiobarbiturates as antibacterial and cholinesterase inhibitors
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Sol-gel synthesis of cerium dioxide nanoparticles coated with stimuli-responsive components and the application for conversion of d-(−)-fructose into platform molecules
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Chemoinformatics
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Chemoinformatics
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Syntheses of natural 1,3-polyol/α-pyrone and its all stereoisomers to estimate antifungal activities against plant pathogenic fungi
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xMaP—An Interpretable Alignment-Free Four-Dimensional Quantitative Structure–Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles
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A Novel Structure-Based Multimode QSAR Method Affords Predictive Models for Phosphodiesterase Inhibitors
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A receptor dependent-4D QSAR approach to predict the activity of mutated enzymes
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Multidimensional (3D/4D-QSAR) probability-guided pharmacophore mapping: investigation of activity profile for a series of drug absorption promoters
inferred← citeshttps://doi.org/10.1080/17460441.2019.1664467openalex-snapshot
4D- quantitative structure–activity relationship modeling: making a comeback
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00788.xopenalex-snapshot
Quantitative Structure–Activity Relationship Models with Receptor‐Dependent Descriptors for Predicting Peroxisome Proliferator‐Activated Receptor Activities of Thiazolidinedione and Oxazolidinedione Derivatives
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Receptor‐Dependent 4D‐QSAR Analysis of Peptidemimetic Inhibitors of Trypanosoma cruzi Trypanothione Reductase with Receptor‐Based Alignment
inferred← citeshttps://doi.org/10.1371/journal.pone.0048942openalex-snapshot
Identification of Novel HIV 1- Protease Inhibitors: Application of Ligand and Structure Based Pharmacophore Mapping and Virtual Screening
inferred← citeshttps://doi.org/10.21203/rs.3.rs-4091168/v1openalex-snapshot
Comprehensive 4D-QSAR Analysis for Predicting the Biological Activity of Quinazoline: Integrating Electron Conformational and Genetic Algorithm Approaches through a Unified Framework to Uncover Essential Pharmacophoric Features
inferred← citeshttps://doi.org/10.2174/092986709788803286openalex-snapshot
Receptor Dependent Multidimensional QSAR for Modeling Drug - Receptor Interactions
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Structure-Based Modeling of Dye-Fiber Affinity with SOM-4D-QSAR Paradigm: Application to Set of Anthraquinone Derivatives
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Recent Advances in Multidimensional QSAR (4D-6D): A Critical Review
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A New Structure-Based QSAR Method Affords both Descriptive and Predictive Models for Phosphodiesterase-4 Inhibitors
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Two Decades of 4D-QSAR: A Dying Art or Staging a Comeback?
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4D-QSAR: Perspectives in Drug Design
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QSPR Modeling and Experimental Determination of the Antioxidant Activity of Some Polycyclic Compounds in the Radical-Chain Oxidation Reaction of Organic Substrates
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Towards Understanding Drugs on the Molecular Level to Design Drugs of Desired Profiles
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