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Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP)
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ChemInform Abstract: Aromatase Inhibitors. Syntheses and Structure‐Activity Studies of Novel Pyridyl‐Substituted Indanones, Indans, and Tetralins.
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ChemInform Abstract: Synthesis of Androst‐5‐en‐7‐ones and Androsta‐3,5‐dien‐7‐ones and Their Related 7‐Deoxy Analogues as Conformational and Catalytic Probes for the Active Site of Aromatase.
inferredcites →https://doi.org/10.1002/qsar.19880070105openalex-snapshot
Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
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Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D‐QSAR Problems
inferredcites →https://doi.org/10.1007/978-94-011-1472-1openalex-snapshot
Trends in QSAR and Molecular Modelling 92
inferredcites →https://doi.org/10.1007/978-94-011-1472-1_3openalex-snapshot
New strategies that improve the efficiency of the 3D design of bioactive molecules
inferredcites →https://doi.org/10.1007/bf00124013openalex-snapshot
Extended electron distributions applied to the molecular mechanics of some intermolecular interactions
inferredcites →https://doi.org/10.1007/bf00128336openalex-snapshot
MOPAC: A semiempirical molecular orbital program
inferredcites →https://doi.org/10.1007/bf00682736openalex-snapshot
Aromatase and its inhibitors in breast cancer treatment ? overview and perspective
inferredcites →https://doi.org/10.1007/bf00682737openalex-snapshot
The role of aromatase in breast tumors
inferredcites →https://doi.org/10.1007/bf02171654openalex-snapshot
Crystal structures of HIV-1 protease-inhibitor complexes
inferredcites →https://doi.org/10.1016/0006-291x(91)91997-qopenalex-snapshot
6α,7 ga-Cyclopropane derivatives of androst-4-ene: A novel class of competitive aromatase inhibitors
inferredcites →https://doi.org/10.1016/0022-2836(87)90190-2openalex-snapshot
HIGH-RESOLUTION CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM
inferredcites →https://doi.org/10.1016/0022-4731(90)90158-oopenalex-snapshot
Aromatase inhibition by 4-thiosubstituted-4-androstene-3,17-dione derivatives
inferredcites →https://doi.org/10.1016/0022-4731(90)90170-wopenalex-snapshot
7-Substituted 1,4,6-androstatriene-3,17-diones as enzyme-activated irreversible inhibitors of aromatase
inferredcites →https://doi.org/10.1016/0169-7439(87)80084-9openalex-snapshot
Principal component analysis
inferredcites →https://doi.org/10.1016/0223-5234(87)90065-1openalex-snapshot
QSAR in drug design and toxicology
inferredcites →https://doi.org/10.1016/0300-9629(92)90560-dopenalex-snapshot
Review of medical physiology
inferredcites →https://doi.org/10.1016/0960-0760(90)90486-5openalex-snapshot
4-aminoandrostenedione derivatives: A novel class of irreversible aromatase inhibitors. Comparison with FCE 24304 and 4-hydroxyandrostenedione
inferredcites →https://doi.org/10.1016/0960-0760(90)90488-7openalex-snapshot
Biochemical and pharmacological development of steroidal inhibitors of aromatase
inferredcites →https://doi.org/10.1016/0960-0760(92)90295-topenalex-snapshot
Kinetic properties of aromatase mutants Pro308Phe, Asp309Asn, and Asp309Ala and their interactions with aromatase inhibitors
inferredcites →https://doi.org/10.1016/0960-0760(93)90235-oopenalex-snapshot
Tissue-specific promoters regulate aromatase cytochrome P450 expression
inferredcites →https://doi.org/10.1016/0960-0760(93)90238-ropenalex-snapshot
Structure-function studies of human aromatase
inferredcites →https://doi.org/10.1016/0960-0760(93)90239-sopenalex-snapshot
Steroidal inhibitors as chemical probes of the active site of aromatase
inferredcites →https://doi.org/10.1016/0960-0760(93)90243-popenalex-snapshot
A detailed molecular model for human aromatase
inferredcites →https://doi.org/10.1016/0960-0760(93)90244-qopenalex-snapshot
A-ring bridged steroids as potent inhibitors of aromatase
inferredcites →https://doi.org/10.1016/0960-0760(93)90269-3openalex-snapshot
Biological characterization of A-ring steroids
inferredcites →https://doi.org/10.1016/0960-0760(94)90269-0openalex-snapshot
Aromatase inhibitors in the treatment of breast cancer
inferredcites →https://doi.org/10.1016/0960-0760(94)90270-4openalex-snapshot
Novel aromatase and 5α-reductase inhibitors
inferredcites →https://doi.org/10.1016/s0006-291x(89)80102-0openalex-snapshot
19-hydroxy-4-androsten-17-one: Potential competitive inhibitor of estrogen biosynthesis
inferredcites →https://doi.org/10.1016/s0021-9258(17)32197-xopenalex-snapshot
Mutagenesis study at a postulated hydrophobic region near the active site of aromatase cytochrome P450.
inferredcites →https://doi.org/10.1016/s0021-9258(18)41713-9openalex-snapshot
Functional domains of aromatase cytochrome P450 inferred from comparative analyses of amino acid sequences and substantiated by site-directed mutagenesis experiments.
inferredcites →https://doi.org/10.1016/s0021-9258(18)48349-4openalex-snapshot
A site-directed mutagenesis study of human placental aromatase.
inferredcites →https://doi.org/10.1016/s0021-9258(18)61364-xopenalex-snapshot
Purification and characterization of human placental aromatase cytochrome P-450.
inferredcites →https://doi.org/10.1016/s0021-9258(20)79736-xopenalex-snapshot
The Involvement of Human Placental Microsomal Cytochrome P-450 in Aromatization
inferredcites →https://doi.org/10.1016/s0165-6147(00)89052-5openalex-snapshot
3D-QSAR: a current perspective
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/jm00035a007openalex-snapshot
Aromatase Inhibitors. Syntheses and Structure-Activity Studies of Novel Pyridyl-Substituted Indanones, Indans, and Tetralins
inferredcites →https://doi.org/10.1021/jm00035a011openalex-snapshot
6-Alkyl- and 6-Arylandrost-4-ene-3,17-diones as Aromatase Inhibitors. Synthesis and Structure-Activity Relationships
inferredcites →https://doi.org/10.1021/jm00040a012openalex-snapshot
Synthesis of Androst-5-en-7-ones and Androsta-3,5-dien-7-ones and Their Related 7-Deoxy Analogs as Conformational and Catalytic Probes for the Active Site of Aromatase
inferredcites →https://doi.org/10.1021/jm00040a013openalex-snapshot
Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes
inferredcites →https://doi.org/10.1021/jm00041a010openalex-snapshot
Compass: Predicting Biological Activities from Molecular Surface Properties. Performance Comparisons on a Steroid Benchmark
inferredcites →https://doi.org/10.1021/jm00042a012openalex-snapshot
Comparative Molecular Field Analysis Using GRID Force-Field and GOLPE Variable Selection Methods in a Study of Inhibitors of Glycogen Phosphorylase b
inferredcites →https://doi.org/10.1021/jm00078a003openalex-snapshot
Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules
inferredcites →https://doi.org/10.1021/jm00109a033openalex-snapshot
Novel time-dependent inhibitors of human placental aromatase
inferredcites →https://doi.org/10.1021/jm00112a028openalex-snapshot
Synthesis and biochemical studies of 16- or 19-substituted androst-4-enes as aromatase inhibitors
inferredcites →https://doi.org/10.1021/jm00163a017openalex-snapshot
Synthesis and biochemical studies of 7-substituted 4,6-androstadiene-3,17-diones as aromatase inhibitors
inferredcites →https://doi.org/10.1021/jm00280a017openalex-snapshot
Chance correlations in structure-activity studies using multiple regression analysis
inferredcites →https://doi.org/10.1038/365859a0openalex-snapshot
Molecular basis of crossreactivity and the limits of antibody–antigen complementarity
inferredcites →https://doi.org/10.1073/pnas.88.2.410openalex-snapshot
Structure-function studies of human aromatase by site-directed mutagenesis: kinetic properties of mutants Pro-308----Phe, Tyr-361----Phe, Tyr-361----Leu, and Phe-406----Arg.
inferredcites →https://doi.org/10.1080/00401706.1987.10488195openalex-snapshot
Applied Linear Regression
inferredcites →https://doi.org/10.1210/me.7.12.1617openalex-snapshot
Functional domains of human aromatase cytochrome P450 characterized by linear alignment and site-directed mutagenesis
inferredcites →https://doi.org/10.7326/0003-4819-75-6-991_4openalex-snapshot
Review of Medical Physiology.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470125885.ch3openalex-snapshot
Theoretical and Practical Aspects of Three‐Dimensional Quantitative Structure‐Activity Relationships
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Combining NMR Spectral Information with Associated Structural Features to form Computationally Nonintensive, Rugged, and Objective Models of Biological Activity
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Modeling of diarylalkyl‐imidazole and diarylalkyl‐triazole derivatives as potent aromatase inhibitors for treatment of hormone‐dependent cancer
inferred← citeshttps://doi.org/10.1002/jmr.570openalex-snapshot
Comparative structural connectivity spectra analysis (CoSCoSA) models of steroids binding to the aromatase enzyme
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QSAR Modeling of GPCR Ligands: Methodologies and Examples of Applications
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Recent Advances in QSAR Studies
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3D-QSAR – Applications, Recent Advances, and Limitations
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www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices—the Py-CoMFA web application as tool to build models from pre-aligned datasets
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Predictive Quantitative Structure–Activity Relationship Modeling
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3D Quantitative Structure–Property Relationships
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Anticancer Drugs That Inhibit Hormone Action
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Developing steroidal aromatase inhibitors-an effective armament to win the battle against breast cancer
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Effective anti-aromatase therapy to battle against estrogen-mediated breast cancer: Comparative SAR/QSAR assessment on steroidal aromatase inhibitors
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Gas chromatography–mass spectrometric analysis of oxidative reactions of [19,19-2H2]19-hydroxy-3-deoxy androgens by placental aromatase
inferred← citeshttps://doi.org/10.1016/s0166-1280(98)00082-7openalex-snapshot
Comparative molecular field analysis of protein tyrosine phosphatase low-molecular-weight substrates
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Structure-based 3D-QSAR—merging the accuracy of structure-based alignments with the computational efficiency of ligand-based methods
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Pharmacophore modeling of cytochromes P450
inferred← citeshttps://doi.org/10.1016/s0303-7207(01)00433-6openalex-snapshot
Aromatase inhibitors: past, present and future
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Molecular modelling of steroidogenic cytochromes P450 from families CYP11, CYP17, CYP19 and CYP21 based on the CYP102 crystal Structure
inferred← citeshttps://doi.org/10.1016/s0968-0896(00)00024-9openalex-snapshot
New aromatase inhibitors. Synthesis and biological activity of aryl-substituted pyrrolizine and indolizine derivatives
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Binding affinity prediction of novel estrogen receptor ligands using receptor-based 3-D QSAR methods
inferred← citeshttps://doi.org/10.1016/s1056-8719(00)00109-xopenalex-snapshot
Progress in predicting human ADME parameters in silico
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Chapter 7 Variable Selection QSAR Modeling, Model Validation, and Virtual Screening
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A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology
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Chemography: The Art of Navigating in Chemical Space
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Models of Polychlorinated Dibenzodioxins, Dibenzofurans, and Biphenyls Binding Affinity to the Aryl Hydrocarbon Receptor Developed Using 13C NMR Data
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13C NMR Quantitative Spectrometric Data-Activity Relationship (QSDAR) Models of Steroids Binding the Aromatase Enzyme
inferred← citeshttps://doi.org/10.1021/ci049925eopenalex-snapshot
Models of Steroid Binding Based on the Minimum Deviation of Structurally Assigned 13C NMR Spectra Analysis (MiDSASA)
inferred← citeshttps://doi.org/10.1021/ci200542mopenalex-snapshot
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms
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A Different Method for Steric Field Evaluation in CoMFA Improves Model Robustness
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Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on the k -Nearest-Neighbor Principle
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Role of Hydrophilic Interaction in Binding of Hydroxylated 3-Deoxy C19 Steroids to the Active Site of Aromatase
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Cytochrome P450 in Silico: An Integrative Modeling Approach
inferred← citeshttps://doi.org/10.1021/jm0505157openalex-snapshot
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Fast Three Dimensional Pharmacophore Virtual Screening of New Potent Non-Steroid Aromatase Inhibitors
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Comparative Molecular Field Analysis of A Series of Paclitaxel Analogues
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List of CoMFA references, 1993-1996
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Molecular modelling studies on the ORL1-receptor and ORL1-agonists
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Computational methods for the design of potent aromatase inhibitors
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