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Identification of Novel Androgen Receptor Antagonists Using Structure- and Ligand-Based Methods

https://doi.org/10.1021/ci300514v
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What this work says

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

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Rapid, non‐destructive, cell‐based screening assays for agents that modulate growth, death, and androgen receptor activation in prostate cancer cells
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On Some Aspects of Variable Selection for Partial Least Squares Regression Models
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K*: An Instance-based Learner Using an Entropic Distance Measure
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Development of Androgen Receptor Antagonists with Promising Activity in Castration-Resistant Prostate Cancer
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Exploring the impact of size of training sets for the development of predictive QSAR models
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eHiTS: A new fast, exhaustive flexible ligand docking system
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Linear model selection by cross-validation
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Image processing with neural networks—a review
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Assessing Model Fit by Cross-Validation
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Inductive Electronegativity Scale. Iterative Calculation of Inductive Partial Charges
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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‘Inductive' Charges on Atoms in Proteins: Comparative Docking with the Extended Steroid Benchmark Set and Discovery of a Novel SHBG Ligand
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Classification and Virtual Screening of Androgen Receptor Antagonists
inferredcites →https://doi.org/10.1021/ci2004835openalex-snapshot
Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods
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Numerical Errors and Chaotic Behavior in Docking Simulations
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Statistical Confidence for Variable Selection in QSAR Models via Monte Carlo Cross-Validation
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Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
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Structural Evidence for Ligand Specificity in the Binding Domain of the Human Androgen Receptor
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Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor
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Structure-based Virtual Screening and Identification of a Novel Androgen Receptor Antagonist
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Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor
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Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12
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ChEMBL: a large-scale bioactivity database for drug discovery
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Comparison of crystal structures of human androgen receptor ligand‐binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity
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Development of a Second-Generation Antiandrogen for Treatment of Advanced Prostate Cancer
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The WEKA data mining software
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Overcoming Persistent Dependency on Androgen Signaling after Progression to Castration-Resistant Prostate Cancer
inferredcites →https://doi.org/10.1200/jco.2005.03.4777openalex-snapshot
Biology of Progressive, Castration-Resistant Prostate Cancer: Directed Therapies Targeting the Androgen-Receptor Signaling Axis
inferredcites →https://doi.org/10.1214/aos/1016218223openalex-snapshot
Additive logistic regression: a statistical view of boosting (With discussion and a rejoinder by the authors)
inferredcites →https://doi.org/10.1517/17460441.2.12.1567openalex-snapshot
On some aspects of validation of predictive quantitative structure–activity relationship models
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Inductive Descriptors: 10 Successful Years in QSAR
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Cancer statistics, 2011

What points at this work

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

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Recent Developments in Androgen Receptor Antagonists
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A magic drug target: Androgen receptor
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Comprehensive In Silico Investigation of Coumarin Derivatives as Androgen Receptor Antagonists: Ligand‐Based Modeling, MolSHAP‐Driven Design and Molecular Dynamics Validation
inferred← citeshttps://doi.org/10.1007/978-1-4939-3724-0_4openalex-snapshot
Drug-Discovery Pipeline for Novel Inhibitors of the Androgen Receptor
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Targeting androgen receptor for prostate cancer therapy: From small molecules to PROTACs
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Synthesis and preliminary investigations into novel 1,2,3-triazole-derived androgen receptor antagonists inspired by bicalutamide
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Novel androgen receptor antagonist identified by structure-based virtual screening, structural optimization, and biological evaluation
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Discovery of Novel Androgen Receptor Ligands by Structure-Based Virtual Screening and Bioassays
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Allosteric mechanisms of nuclear receptors: insights from computational simulations
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3D-QSAR and molecular fragment replacement study on diaminopyrimidine and pyrrolotriazine ALK inhibitors
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Discovery of a Novel Androgen Receptor Antagonist Manifesting Evidence to Disrupt the Dimerization of the Ligand-Binding Domain via Attenuating the Hydrogen-Bonding Network Between the Two Monomers
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One-Pot Construction of CF 3 -Tetrahydroindeno[1,2- b ]pyrrol-4(1 H )-ones from 2-[3-(Trifluoromethyl)but-3-en-1-yn-1-yl]benzaldehyde Derivatives and Primary Aliphatic Amines
inferred← citeshttps://doi.org/10.1021/jm500802jopenalex-snapshot
Discovery of Small-Molecule Inhibitors Selectively Targeting the DNA-Binding Domain of the Human Androgen Receptor
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The inhibitory effects of AR/miR-190a/YB-1 negative feedback loop on prostate cancer and underlying mechanism
inferred← citeshttps://doi.org/10.1074/jbc.m114.553818openalex-snapshot
Selectively Targeting the DNA-binding Domain of the Androgen Receptor as a Prospective Therapy for Prostate Cancer
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An Eco-Friendly Stereoselective Synthesis of Novel Derivatives of Indeno[1,2- b ]Pyrrole and Indeno[1,2- c ]Pyridazine
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Molecular modelling on small molecular CDK2 inhibitors: an integrated approach using a combination of molecular docking, 3D-QSAR and pharmacophore modelling
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Conformal prediction to define applicability domain – A case study on predicting ER and AR binding
inferred← citeshttps://doi.org/10.1155/2017/3572394openalex-snapshot
Combined Ligand/Structure-Based Virtual Screening and Molecular Dynamics Simulations of Steroidal Androgen Receptor Antagonists
inferred← citeshttps://doi.org/10.1158/1078-0432.ccr-15-1632openalex-snapshot
Flightless I Homolog Represses Prostate Cancer Progression through Targeting Androgen Receptor Signaling
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DeepAR: a novel deep learning-based hybrid framework for the interpretable prediction of androgen receptor antagonists
inferred← citeshttps://doi.org/10.12688/f1000research.110072.1openalex-snapshot
In silico comparison between the mutated and wild type androgen receptors and their influence on the selection of optimum androgenic receptor blocker for treatment of prostate cancer
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In silico comparison between the mutated and wild-type androgen receptors and their influence on the selection of optimum androgenic receptor blockers for the treatment of prostate cancer
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In silico comparison between the mutated and wild-type androgen receptors and their influence on the selection of optimum androgenic receptor blockers for the treatment of prostate cancer
inferred← citeshttps://doi.org/10.12688/f1000research.110072.4openalex-snapshot
In silico comparison between the mutated and wild-type androgen receptors and their influence on the selection of optimum androgenic receptor blockers for the treatment of prostate cancer
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Discovery of novel androgen receptor inhibitors as prospective therapeutics for advanced prostate cancer
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Potential targets in the discovery of new hair growth promoters for androgenic alopecia
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Ligand-Induced Allosteric Effects Governing SR Signaling
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Anti-Androgen Receptor Therapies in Prostate Cancer: A Brief Update and Perspective
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High Content Screening Using New U2OS Reporter Cell Models Identifies Harmol Hydrochloride as a Selective and Competitive Antagonist of the Androgen Receptor
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Theoretical Evaluation of Twenty-Cannabinoid Derivatives on Either Androgen Receptor or 5α-Reductase Enzyme
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Computational Assessment of a Series of Twenty Cannabinoid-Based Compounds Targeting the Androgen Receptor and 5α-Reductase Enzyme
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Additional file 1 of DeepAR: a novel deep learning-based hybrid framework for the interpretable prediction of androgen receptor antagonists
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Identification de nouveaux inhibiteurs de l'axe androgénique pour contourner la résistance à la castration des cancers de la prostate
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