Search results for "Allosteric inhibition"

showing 2 items of 2 documents

Single-digit nanomolar inhibitors lock the aromatase active site via a dualsteric targeting strategy

2022

The most frequently diagnosed breast cancer (BC) type in women expresses estrogen receptor (ER) , depends on estrogens for its growth, being classified as ER positive (ER+). The gold standard therapy for the treatment of this tumor relies on the inhibition of the aromatase enzyme, which catalyzes estrogen biosynthesis. Despite the clinical success of current aromatase inhibitors (AIs), after prolonged therapeutic regimens, BC ER + patients experience acquired resistance and disease relapse. This points up the urgent need for a newer generation of AIs able to overcome resistance issues, while mitigating toxicity and side effects of current therapies. Here we performed the synthesis, biologic…

PharmacologyOrganic ChemistryBreast NeoplasmsGeneral MedicineMolecular dynamicsQM/MMAromataseAllosteric inhibitionAromatase inhibitorsBreast cancerReceptors EstrogenSettore CHIM/03 - Chimica Generale E InorganicaCatalytic DomainDrug DiscoveryBreast cancer; Aromatase inhibitors; Allosteric inhibition; Molecular dynamics; QM; MMHumansFemaleEuropean Journal of Medicinal Chemistry
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Molecular Basis for Endocrine Disruption by Pesticides Targeting Aromatase and Estrogen Receptor

2020

The intensive use of pesticides has led to their increasing presence in water, soil, and agricultural products. Mounting evidence indicates that some pesticides may be endocrine disrupting chemicals (EDCs), being therefore harmful for the human health and the environment. In this study, three pesticides, glyphosate, thiacloprid, and imidacloprid, were tested for their ability to interfere with estrogen biosynthesis and/or signaling, to evaluate their potential action as EDCs. Among the tested compounds, only glyphosate inhibited aromatase activity (up to 30%) via a non-competitive inhibition or a mixed inhibition mechanism depending on the concentration applied. Then, the ability of the thr…

aromatasemedicine.drug_classHealth Toxicology and Mutagenesislcsh:MedicineEstrogen receptorMixed inhibitionEndocrine Disruptors010501 environmental sciencesPharmacology01 natural sciencesArticle03 medical and health scienceschemistry.chemical_compoundImidaclopridReceptorsmedicineHumansAromataseestrogenic activity030304 developmental biology0105 earth and related environmental sciences0303 health sciencesAromatase inhibitorendocrine disrupting chemicalbiologyAromatase Inhibitorslcsh:RPublic Health Environmental and Occupational HealthEstrogenspesticidesPesticideThiaclopridEstrogenmolecular dynamicsReceptors EstrogenchemistryEstrogenMELN allosteric inhibitionbiology.proteingene reporter assayAromatase; Endocrine disrupting chemical; Estrogen receptor; Estrogenic activity; Gene reporter assay; MELN allosteric inhibition; Molecular dynamics; Neonicotinoids; Pesticides; Aromatase; Aromatase Inhibitors; Estrogens; Humans; Receptors Estrogen; Endocrine Disruptors; Pesticidesneonicotinoidsestrogen receptorInternational Journal of Environmental Research and Public Health
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