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Pharmacophore Modeling and in Silico Screening for New P450 19 (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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Inhibition of CYP 17, a New Strategy for the Treatment of Prostate Cancer
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Synthesis and Evaluation of a Dimer of 2‐(4‐Pyridylmethyl)‐1‐Indanone as a Novel Nonsteroidal Aromatase Inhibitor
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Organic Fluorine: Odd Man Out
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Nonsteroidal aromatase inhibitors: Recent advances
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DockingVersus Pharmacophore Model Generation: A Comparison of High-Throughput Virtual Screening Strategies for the Search of Human Rhinovirus Coat Protein Inhibitors
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The use of the novel substrate–heme complex approach in the derivation of a representation of the active site of the enzyme complex 17α-hydroxylase and 17,20-lyase
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Aromatase inhibitors: mechanism of action and role in the treatment of breast cancer
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Gemcitabine and anthracyclines in breast cancer
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Evidence for new non-steroidal human aromatase inhibitors and comparison with equine aromatase inhibition for an understanding of the mammalian active site
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Synthesis of new potent and selective aromatase inhibitors based on long-chained diarylalkylimidazole and diarylalkyltriazole molecule skeletons
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A structure–Permeability study of small drug-like molecules
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New selective nonsteroidal aromatase inhibitors: Synthesis and inhibitory activity of 2,3 or 5-(α-azolylbenzyl)-1H-indoles
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New aromatase inhibitors. Synthesis and biological activity of aryl-substituted pyrrolizine and indolizine derivatives
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Linking CoMFA and protein homology models of enzyme–inhibitor interactions: an application to non-steroidal aromatase inhibitors
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Imidazole substituted biphenyls: A new class of highly potent and in vivo active inhibitors of P450 17 as potential therapeutics for treatment of prostate cancer
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A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases
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The Identification of Ligand Features Essential for PXR Activation by Pharmacophore Modeling
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inferredcites →https://doi.org/10.1021/jm00012a009openalex-snapshot
Pyridyl-Substituted Tetrahydrocyclopropa[a]naphthalenes: Highly Active and Selective Inhibitors of P450 arom
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Aromatase Inhibitors. Syntheses and Structure-Activity Studies of Novel Pyridyl-Substituted Indanones, Indans, and Tetralins
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A New Class of Nonsteroidal Aromatase Inhibitors: Design and Synthesis of Chromone and Xanthone Derivatives and Inhibition of the P450 Enzymes Aromatase and 17α-Hydroxylase/C17,20-Lyase
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New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives
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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
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1-Imidazolyl(alkyl)-Substituted Di- and Tetrahydroquinolines and Analogues: Syntheses and Evaluation of Dual Inhibitors of Thromboxane A2Synthase and Aromatase
inferredcites →https://doi.org/10.1021/js950285ropenalex-snapshot
Correlation of Drug Absorption with Molecular Surface Properties
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Property distribution of drug-related chemical databases*
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Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans
inferredcites →https://doi.org/10.1038/sj.bjc.6601731openalex-snapshot
Aromatase inhibition in the treatment of advanced breast cancer: is there a relationship between potency and clinical efficacy?
inferredcites →https://doi.org/10.1039/b502828kopenalex-snapshot
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inferredcites →https://doi.org/10.1080/14756360310001640913openalex-snapshot
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inferredcites →https://doi.org/10.2174/0929867013372481openalex-snapshot
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inferredcites →https://doi.org/10.2174/138161205774414510openalex-snapshot
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What points at this work

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

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Pharmacophore Modeling and in Silico Screening for New P450 19 (Aromatase) Inhibitors.
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QSAR modeling of aromatase inhibitory activity of 1-substituted 1,2,3-triazole analogs of letrozole
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Pharmacophore mapping of arylbenzothiophene derivatives for MCF cell inhibition using classical and 3D space modeling approaches
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Species Used for Drug Testing Reveal Different Inhibition Susceptibility for 17beta-Hydroxysteroid Dehydrogenase Type 1
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Computational method for aromatase-related proteins using machine learning approach
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Computational methods for the design of potent aromatase inhibitors
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COMPUTER-AIDED DESIGN OF POTENTIAL AROMATASE INHIBITORS BASED ON 1,2,4-TRIAZOLE DERIVATIVES
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In silico computer simulation risk assessment of triazole fungicides on human cytochrome p450 aromatase enzyme: cyp19a1 inhibition by triazoles using autodock software.
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Identification of Influenza PAN Endonuclease Inhibitors via 3D-QSAR Modeling and Docking-Based Virtual Screening
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Ligand- and Structure-Based Drug Design of Non-Steroidal Aromatase Inhibitors (NSAIs) in Breast Cancer
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Additional file 1 of Lead generation of UPPS inhibitors targeting MRSA: Using 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamic simulations
inferred← citeshttps://doi.org/10.6084/m9.figshare.26670438openalex-snapshot
Additional file 2 of Lead generation of UPPS inhibitors targeting MRSA: Using 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamic simulations
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