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References from Comparative in silico evaluation of steroidal and non-steroidal sulfamates as potential human steroid sulfatase inhibitors. Local targets link to admitted publications; unresolved targets remain external evidence.
Global cancer in women: burden and trends
10.1158/1055-9965.epi-16-0858 · 2017 · External reference
Global patterns and trends in breast cancer incidence and mortality across 185 countries
10.1038/s41591-025-03502-3 · 2025 · External reference
Breast cancers with intermediate estrogen receptor expression: characteristics, prognosis and treatment
10.1016/j.clbc.2024.11.020 · 2025 · External reference
Treatment of estrogen receptor-positive breast cancer
10.2174/092986713804999303 · 2013 · External reference
Breast cancer: molecular pathogenesis, targeted therapy, screening, and prevention
10.1002/mco2.70560 · 2026 · External reference
Current and emerging estrogen receptor-targeted therapies for the treatment of breast cancer
10.1042/ebc20200174 · 2021 · External reference
Endocrine resistance in breast cancer: from molecular mechanisms to therapeutic strategies
10.1007/s00109-021-02136-5 · 2021 · External reference
Overcoming endocrine resistance in metastatic breast cancer: current evidence and future directions
10.5306/wjco.v5.i5.990 · 2014 · External reference
The sulfatase pathway for estrogen formation: targets for the treatment and diagnosis of hormone-associated tumors
2013 · External reference
The regulation of steroid action by sulfation and desulfation
10.1210/er.2015-1036 · 2015 · External reference
Discovery and development of the aryl O‑sulfamate pharmacophore for oncology and women’s health
10.1021/acs.jmedchem.5b00386 · 2015 · External reference
Steroid sulfatase and sulfotransferases in the estrogen and androgen action of gynecological cancers: current status and perspectives
10.1042/ebc20230096 · 2024 · External reference
Mobility shift-based electrophoresis coupled with fluorescent detection enables real-time enzyme analysis of carbohydrate sulfatase activity
10.1042/bcj20200952 · 2021 · External reference
Development of steroid sulfatase inhibitors
10.1016/j.mce.2010.12.035 · 2011 · External reference
Sulfamates and their therapeutic potential
10.1002/med.20021 · 2005 · External reference
Review of estrone sulfatase and its inhibitors - an important new target against hormone dependent breast cancer
10.2174/0929867023371210 · 2002 · External reference
Estrogen O-sulfamates and their analogues: clinical steroid sulfatase inhibitors with broad potential
10.1016/j.jsbmb.2015.03.012 · 2015 · External reference
Recent studies on aromatase and sulfatase involved in breast cancer and their inhibitors
10.2174/1573408016666200325120248 · 2020 · External reference
Novel nonsteroidal steroid sulfatase inhibitors containing glutamic acid unit
10.1016/j.ejmech.2025.117627 · 2025 · External reference
Irosustat: a first-generation steroid sulfatase inhibitor in breast cancer
10.1586/era.10.201 · 2011 · External reference
Sulfatases: structure, mechanism, biological activity, inhibition, and synthetic utility
10.1002/anie.200300632 · 2004 · External reference
Dual targeting of steroid sulfatase and 17β-hydroxysteroid dehydrogenase type 1 by a novel drug-prodrug approach: a potential therapeutic option for the treatment of endometriosis
10.1021/acs.jmedchem.2c00589 · 2022 · External reference
Structure of human placental steroid sulfatase at 2.0 angstrom resolution: catalysis, quaternary association, and a secondary ligand site
10.1016/j.jsbmb.2022.106228 · 2023 · External reference
Alchemical free energy calculations on membrane-associated proteins
10.1021/acs.jctc.3c00365 · 2023 · External reference
Role of molecular dynamics and related methods in drug discovery
10.1021/acs.jmedchem.5b01684 · 2016 · External reference
Halogenated phenylsulfamates as hCA IX inhibitors: in silico evaluation of dynamic stability and pharmacokinetic safety
10.1002/slct.74012 · 2026 · External reference
ADME profile of BZP (benzylpiperazine) - first application of multi-in silico approach methodology for comprehensive prediction of ADME profile (absorption, distribution, metabolism and excretion) important for clinical toxicology and forensic purposes
10.1016/j.cbi.2025.111775 · 2025 · External reference
E)-N-(3-chlorophenyl)-1-(5-nitro-2-(piperidin-1-yl)phenyl)methanimine: X-Ray, DFT, ADMET, Boiled-Egg Model, Druggability, Bioavailabilty, and Human Cyclophilin D (CypD) Inhibitory Activity
10.1016/j.molstruc.2021.131744 · 2022 · External reference
Silver Nanoparticles from Saudi and Syrian Black Cumin Seed Extracts: Green Synthesis, ADME, Toxicity, Comparative Research, and Biological Appraisal
10.4103/jpbs.jpbs_381_23 · 2023 · External reference
ProTox 3.0: a webserver for the prediction of toxicity of chemicals
10.1093/nar/gkae303 · 2024 · External reference
Binding Affinity via Docking: Fact and Fiction
10.3390/molecules23081899 · 2018 · External reference
Screening of Potential Inhibitors Targeting the Main Protease Structure of SARS-CoV-2 via Molecular Docking, and Approach with Molecular Dynamics, RMSD, RMSF, H-Bond, SASA and MMGBSA
10.1007/s12033-023-00831-x · 2024 · External reference
Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Simulation Studies of Nucleoside Analogs for Drug Discovery- A Mini Review
10.2174/0113895575258033231024073521 · 2024 · External reference
Molecular dynamics simulations of proteins: an in-depth review of computational strategies, structural insights, and their role in medicinal chemistry and drug development
10.1007/s00422-025-01026-0 · 2025 · External reference
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
10.1007/s10822-013-9644-8 · 2013 · External reference
Epik: p K a and protonation state prediction through machine learning
10.1021/acs.jctc.3c00044 · 2023 · External reference
OPLS4: improving force field accuracy on challenging regimes of chemical space
10.1021/acs.jctc.1c00302 · 2021 · External reference
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules
10.1093/nar/gkz382 · 2019 · External reference
Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein−ligand complexes
10.1021/jm051256o · 2006 · External reference
Scalable algorithms for molecular dynamics simulations on commodity clusters
2006 · External reference
An accurate and efficient NPT ensemble molecular dynamics simulation method
10.1063/5.0307402 · 2026 · External reference
Exploring protein-berberine interactions via molecular dynamics and MM/GBSA calculations
10.1016/j.molliq.2024.125755 · 2024 · External reference
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
10.1038/srep42717 · 2017 · External reference
A BOILED-egg to predict gastrointestinal absorption and brain penetration of small molecules
10.1002/cmdc.201600182 · 2016 · External reference
SULFATION PATHWAYS: steroid sulphatase inhibition via aryl sulphamates: clinical progress, mechanism and future prospects
10.1530/jme-18-0045 · 2018 · External reference
The important roles of steroid sulfatase and sulfotransferases in gynecological diseases
10.3389/fphar.2016.00030 · 2016 · External reference
Sulfatase inhibitors: a patent review
10.1517/13543776.2013.736965 · 2013 · External reference