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Computational Polypharmacology Analysis of the Heat Shock Protein 90 Interactome
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/cmdc.200900256openalex-snapshot
Structure‐Based and in silico Design of Hsp90 Inhibitors
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UCSF Chimera—A visualization system for exploratory research and analysis
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Estrogen receptor and breast cancer
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KNIME: The Konstanz Information Miner
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Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
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The ErbB2 Signaling Network as a Target for Breast Cancer Therapy
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The National Center for Biotechnology Information
inferredcites →https://doi.org/10.1016/j.bcp.2011.11.011openalex-snapshot
Hsp90 inhibitors and drug resistance in cancer: The potential benefits of combination therapies of Hsp90 inhibitors and other anti-cancer drugs
inferredcites →https://doi.org/10.1016/j.bmcl.2003.11.011openalex-snapshot
Adenine derived inhibitors of the molecular chaperone HSP90—SAR explained through multiple X-ray structures
inferredcites →https://doi.org/10.1016/j.bmcl.2005.08.013openalex-snapshot
Structure-based design of 7-carbamate analogs of geldanamycin
inferredcites →https://doi.org/10.1016/j.ejmech.2012.10.024openalex-snapshot
Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations
inferredcites →https://doi.org/10.1016/j.freeradbiomed.2010.03.001openalex-snapshot
Reactive oxygen species mediate hepatotoxicity induced by the Hsp90 inhibitor geldanamycin and its analogs
inferredcites →https://doi.org/10.1016/j.pbiomolbio.2014.05.006openalex-snapshot
Polypharmacology rescored: Protein–ligand interaction profiles for remote binding site similarity assessment
inferredcites →https://doi.org/10.1016/j.str.2004.09.015openalex-snapshot
Understanding the Selectivity of Genistein for Human Estrogen Receptor-β Using X-Ray Crystallography and Computational Methods
inferredcites →https://doi.org/10.1016/j.tips.2004.11.007openalex-snapshot
Multi-functional drugs for various CNS targets in the treatment of neurodegenerative disorders
inferredcites →https://doi.org/10.1016/j.tips.2009.07.004openalex-snapshot
Conciliating binding efficiency and polypharmacology
inferredcites →https://doi.org/10.1016/s0092-8674(00)80203-2openalex-snapshot
Crystal Structure of an Hsp90–Geldanamycin Complex: Targeting of a Protein Chaperone by an Antitumor Agent
inferredcites →https://doi.org/10.1016/s0092-8674(00)80314-1openalex-snapshot
Identification and Structural Characterization of the ATP/ADP-Binding Site in the Hsp90 Molecular Chaperone
inferredcites →https://doi.org/10.1016/s0092-8674(00)81717-1openalex-snapshot
The Structural Basis of Estrogen Receptor/Coactivator Recognition and the Antagonism of This Interaction by Tamoxifen
inferredcites →https://doi.org/10.1016/s1074-5521(03)00075-9openalex-snapshot
Crystal Structure and Molecular Modeling of 17-DMAG in Complex with Human Hsp90
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
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ZINC: A Free Tool to Discover Chemistry for Biology
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Growth of Ligand–Target Interaction Data in ChEMBL Is Associated with Increasing and Activity Measurement-Dependent Compound Promiscuity
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Semianalytical treatment of solvation for molecular mechanics and dynamics
inferredcites →https://doi.org/10.1021/ja047633oopenalex-snapshot
Structure-Based Design of Estrogen Receptor-β Selective Ligands
inferredcites →https://doi.org/10.1021/jm00110a022openalex-snapshot
Tyrphostins. II. Heterocyclic and .alpha.-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases
inferredcites →https://doi.org/10.1021/jm049719yopenalex-snapshot
Design and Synthesis of Aryl Diphenolic Azoles as Potent and Selective Estrogen Receptor-β Ligands
inferredcites →https://doi.org/10.1021/jm050540copenalex-snapshot
Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects
inferredcites →https://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferredcites →https://doi.org/10.1021/jm058225dopenalex-snapshot
Designed Multiple Ligands. An Emerging Drug Discovery Paradigm
inferredcites →https://doi.org/10.1021/jm100240hopenalex-snapshot
Structure-Based Discovery of A 2A Adenosine Receptor Ligands
inferredcites →https://doi.org/10.1021/jm5006463openalex-snapshot
Polypharmacology: Challenges and Opportunities in Drug Discovery
inferredcites →https://doi.org/10.1021/jm701018hopenalex-snapshot
4,5-Diarylisoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer
inferredcites →https://doi.org/10.1021/jm701385copenalex-snapshot
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Heat Shock Protein 90
inferredcites →https://doi.org/10.1021/jm980403yopenalex-snapshot
Structural Basis for Inhibition of the Hsp90 Molecular Chaperone by the Antitumor Antibiotics Radicicol and Geldanamycin
inferredcites →https://doi.org/10.1038/39645openalex-snapshot
Molecular basis of agonism and antagonism in the oestrogen receptor
inferredcites →https://doi.org/10.1038/nature11691openalex-snapshot
Automated design of ligands to polypharmacological profiles
inferredcites →https://doi.org/10.1038/nbt1284openalex-snapshot
Relating protein pharmacology by ligand chemistry
inferredcites →https://doi.org/10.1038/nchembio.117openalex-snapshot
Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
inferredcites →https://doi.org/10.1038/nchembio.118openalex-snapshot
Network pharmacology: the next paradigm in drug discovery
inferredcites →https://doi.org/10.1038/nrc2559openalex-snapshot
Targeting cancer with small molecule kinase inhibitors
inferredcites →https://doi.org/10.1038/nrc2787openalex-snapshot
Targeting the cancer kinome through polypharmacology
inferredcites →https://doi.org/10.1038/nrd1346openalex-snapshot
Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia
inferredcites →https://doi.org/10.1038/sj.onc.1203972openalex-snapshot
Overexpression of ErbB2 in cancer and ErbB2-targeting strategies
inferredcites →https://doi.org/10.1073/pnas.1320001111openalex-snapshot
Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus
inferredcites →https://doi.org/10.1074/jbc.m110.206193openalex-snapshot
Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein
inferredcites →https://doi.org/10.1093/database/bar009openalex-snapshot
UniProt Knowledgebase: a hub of integrated protein data
inferredcites →https://doi.org/10.1093/nar/gkl999openalex-snapshot
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1098/rsif.2008.0331.focusopenalex-snapshot
Dynamics of conserved waters in human Hsp90: implications for drug design
inferredcites →https://doi.org/10.1111/j.1582-4934.2007.00177.xopenalex-snapshot
The glucocorticoid receptor signalling in breast cancer
inferredcites →https://doi.org/10.1158/1078-0432.ccr-09-2882openalex-snapshot
Combination Therapy of Bortezomib with Novel Targeted Agents: An Emerging Treatment Strategy
inferredcites →https://doi.org/10.1158/1078-0432.ccr-11-0072openalex-snapshot
HSP90 Inhibition Is Effective in Breast Cancer: A Phase II Trial of Tanespimycin (17-AAG) Plus Trastuzumab in Patients with HER2-Positive Metastatic Breast Cancer Progressing on Trastuzumab
inferredcites →https://doi.org/10.1158/1078-0432.ccr-11-1000openalex-snapshot
Hsp90 Molecular Chaperone Inhibitors: Are We There Yet?
inferredcites →https://doi.org/10.1177/1087057107306067openalex-snapshot
High-Throughput Screening Fluorescence Polarization Assay for Tumor-Specific Hsp90
inferredcites →https://doi.org/10.1371/journal.pone.0026044openalex-snapshot
An Interaction Network Predicted from Public Data as a Discovery Tool: Application to the Hsp90 Molecular Chaperone Machine
inferredcites →https://doi.org/10.1517/17460441.2011.563296openalex-snapshot
Advances in the discovery and development of heat-shock protein 90 inhibitors for cancer treatment
inferredcites →https://doi.org/10.1677/erc.0.0090001openalex-snapshot
Estrogen receptor beta in breast cancer.
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.bmc301openalex-snapshot
Docking, Scoring, and Virtual Screening in Drug Discovery
inferred← citeshttps://doi.org/10.1002/cplu.202200073openalex-snapshot
Conjugated Polymers for Gene Delivery and Photothermal Gene Expression
inferred← citeshttps://doi.org/10.1002/open.202100131openalex-snapshot
Design and Synthesis of Hsp90 Inhibitors with B‐Raf and PDHK1 Multi‐Target Activity
inferred← citeshttps://doi.org/10.1007/7653_2017_1openalex-snapshot
Virtual Screening for Dual Hsp90/B-Raf Inhibitors
inferred← citeshttps://doi.org/10.1007/978-1-4939-8955-3_3openalex-snapshot
Repurposing Drugs Based on Evolutionary Relationships Between Targets of Approved Drugs and Proteins of Interest
inferred← citeshttps://doi.org/10.1007/978-3-030-78397-6_9openalex-snapshot
Heat Shock Proteins as Targets for Novel Antimalarial Drug Discovery
inferred← citeshttps://doi.org/10.1016/b978-0-12-809633-8.20160-xopenalex-snapshot
Drug Repurposing and Multi-Target Therapies
inferred← citeshttps://doi.org/10.1016/b978-0-12-816125-8.00016-xopenalex-snapshot
In Silico Modeling of FDA-Approved Drugs for Discovery of Anticandida Agents: A Drug-Repurposing Approach
inferred← citeshttps://doi.org/10.1016/b978-0-12-816125-8.00019-5openalex-snapshot
In Silico Modeling of FDA-Approved Drugs for Discovery of Anti-Cancer Agents: A Drug-Repurposing Approach
inferred← citeshttps://doi.org/10.1016/b978-0-12-816125-8.00020-1openalex-snapshot
Drug Repurposing by Connectivity Mapping and Structural Modeling
inferred← citeshttps://doi.org/10.1016/b978-0-323-90593-0.00010-1openalex-snapshot
In silico approaches in the repurposing of bioactive natural products for drug discovery
inferred← citeshttps://doi.org/10.1016/j.chembiol.2021.05.004openalex-snapshot
Evolution of kinase polypharmacology across HSP90 drug discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00821openalex-snapshot
Identification of Target Associations for Polypharmacology from Analysis of Crystallographic Ligands of the Protein Data Bank
inferred← citeshttps://doi.org/10.1039/c6md00340kopenalex-snapshot
Novel and less explored chemotypes of natural origin for the inhibition of Hsp90
inferred← citeshttps://doi.org/10.1039/c7ra05889fopenalex-snapshot
Heat shock protein 90 and serine/threonine kinase B-Raf inhibitors have overlapping chemical space
inferred← citeshttps://doi.org/10.1080/17460441.2018.1516035openalex-snapshot
An update on the discovery and development of selective heat shock protein inhibitors as anti-cancer therapy
inferred← citeshttps://doi.org/10.1109/aiiot58432.2024.10574615openalex-snapshot
Enhancing Drug Repositioning Through Collaborative Metric Learning: A Novel Approach
inferred← citeshttps://doi.org/10.1201/9781315368863-12openalex-snapshot
High-Order Perturbation Theory Models of Drug-Target Interactomes for Proteins Expressed on Networks of Hippocampus Brain Region of Alzheimer Disease Patients
inferred← citeshttps://doi.org/10.2174/0929867328666210902145102openalex-snapshot
Dual Targeting Strategies on Histone Deacetylase 6 (HDAC6) and Heat Shock Protein 90 (Hsp90)
inferred← citeshttps://doi.org/10.2174/1389450116666150825111818openalex-snapshot
Docking Studies for Multi-Target Drugs
inferred← citeshttps://doi.org/10.2217/pgs-2018-0036openalex-snapshot
Computational Functional Genomics-Based Approaches in Analgesic Drug Discovery and Repurposing
inferred← citeshttps://doi.org/10.3389/fgene.2019.00916openalex-snapshot
An Integrated System Biology Approach Yields Drug Repositioning Candidates for the Treatment of Heart Failure
inferred← citeshttps://doi.org/10.3389/fphar.2015.00157openalex-snapshot
Computational polypharmacology comes of age
inferred← citeshttps://doi.org/10.3389/fphar.2017.00298openalex-snapshot
On the Integration of In Silico Drug Design Methods for Drug Repurposing
inferred← citeshttps://doi.org/10.3390/app10155076openalex-snapshot
Computational Drug Repositioning: Current Progress and Challenges
inferred← citeshttps://doi.org/10.3390/bioengineering9080335openalex-snapshot
Emerging Promise of Computational Techniques in Anti-Cancer Research: At a Glance
inferred← citeshttps://doi.org/10.3390/molecules25092174openalex-snapshot
Multi-Targeting Bioactive Compounds Extracted from Essential Oils as Kinase Inhibitors
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