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desogestrel + ethinylestradiol

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Teva Pharmaceutical Industries Ltd. · ESR1 · 小分子

什么是 desogestrel + ethinylestradiol？

desogestrel + ethinylestradiol 是一种小分子，由Teva Pharmaceutical Industries Ltd.研发。该药已获批，用于治疗相关适应症，给药途径：Oral (PO)。

药物档案

公司Teva Pharmaceutical Industries Ltd.
药物类别小分子
分子靶点ESR1, PGR
给药途径Oral (PO)
状态Approved
来源： ClinicalTrials.gov, Teva Pharmaceutical Industries Ltd.

作用机制

分子靶点

desogestrel + ethinylestradiol 作用于 2 个分子靶点：

ESR1estrogen receptor 1 (ER, ESR)
PGRprogesterone receptor (NR3C3, PR)
需要更深入的分析？Noah AI 可解释复杂机制并与同类药物比较。

相关研究文献

PubMedBiotech (Basel (Switzerland))2026-10-26

Pharmaceutical Residues in Human Urine from Patients Under Antiretroviral Regimens and Self-Reported Healthy Individuals Before and After Three Months' Storage: Implication for Agricultural Reuse in Pretoria, South Africa.

Lizbelt Mugivhisa Liziwe ML, Faith Baloyi Khanyi BK, Oladeji Oluwaseun Mary OM, Olatunji Olatunde Stephen OS et al.

Background/Objectives: Pharmaceutical residues in human urine have raised serious concerns about the safe reuse of urine in agriculture. The current study investigates and compares the concentrations of pharmaceuticals in urine samples collected from male patients undergoing active antiretroviral regimens and self-reported "healthy individuals" at a government hospital in Pretoria, South Africa, and determines how the residues changed during three months of ambient storage, which is the usual recommendation before use in agriculture. Methods: The urine samples were collected in a plastic bottle to prevent fecal contamination, and 15 targeted compounds were analyzed using solid-phase extraction and liquid chromatography-mass spectrometry. The linearity ranged from 0.9910 to 0.9999, 75.5% to 99.1% for recovery, and intra-day and inter-day precision were below 6%. The urine from each group was collected into one pooled sample and then analyzed both pre- and post-storage. Results: Thirteen pharmaceuticals were detected in urine from patients on regular medication before storage; in "healthy individuals", detections rose from eight to twelve after storage. Concentrations in the composite samples after storage were higher for some of the compounds but lower for others, including caffeine, nevirapine, prednisolone and 17α-ethinylestradiol. Metformin was highest overall at 1186.25 µg/L and remained at 806.68 µg/L after storage. The highest concentration for all the pharmaceuticals was reported for metformin, with a value of 1186.25 µg/L, occurring in the group of patients on a regular regimen. There could be a possibility that the rise can be attributed to the hydrolysis of conjugated metabolites during storage; however, no analysis of conjugates was carried out. Conclusions: This study shows the need for appropriate treatment of human urine prior to its reuse as fertilizer and echoes the importance of further research into human exposure pathways and effective pharmaceutical removal strategies.

PMID 42930069
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PubMedCardiovascular toxicology2026-10-26

The Pesticide Pyrethroid Metabolite 3-Phenoxybenzoic Acid (3-PBA) Impairs Human Cardiac Nav1.5 and Action Potential Depolarization.

de Lima Conceição Michael Ramon MR, Marques Leisiane Pereira LP, da Silva Alcantara Fabiana F, de Morais Rafael Leite Tavares RLT et al.

Pyrethroid insecticides (PYRs) are widely used worldwide, and their primary metabolite, 3-phenoxybenzoic acid (3-PBA), serves as a near-ubiquitous biomarker of human exposure to PYRs. While epidemiological data consistently link urinary 3-PBA to increased cardiometabolic risk and coronary heart disease, the underlying electrophysiological mechanisms of its direct potential cardiotoxicity remain unexplored. Parent PYRs are known to exert cardiotoxic effects by enhancing the late sodium current (INa-L) and inducing arrhythmia, but the direct effect of 3-PBA on heart excitability has not been previously investigated. This study demonstrates that 3-PBA interacts with human cardiac Nav1.5 expressed in Human Embryonic Kidney (HEK293) cells, and significantly increases INa-L in a concentration-dependent manner with an EC50 of 51.3 ± 5.1 µM. The metabolite does not alter the voltage dependence of activation and inactivation, but it significantly delays the recovery from inactivation of the peak sodium current. In human induced pluripotent stem cell-derived cardiomyocytes (CM-hiPSCs) and adult rat ventricular myocytes, 3-PBA reduced maximal depolarization rate (dV/dt), indicating impaired depolarization dynamics and reduced peak sodium current. At the organ level, acute exposure in isolated rat hearts did not significantly alter standard ECG parameters. Collectively, these findings suggest that 3-PBA is not electrophysiologically inert but directly modulates cardiac sodium channel function, although at supraphysiological concentration. This provides new evidence of the biological activity of 3-PBA and suggests that its cardiotoxic potential may become clinically relevant under conditions of high dose and chronic exposure or in susceptible populations.

PMID 42928408
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PubMedInorganic chemistry2026-10-26

Beyond CO2•-: Elusive Relaxation and Distinct Redox-Upconverting Intermediates in Ferrioxalate Photolysis via Multireference Quantum Chemistry.

Zhang Gengwei G, Cen Hao H, Zhang Luobin L, Xu Zhongzhe Z et al.

Ferrioxalate photolysis is critical in geochemistry and engineered advanced oxidation and recently emerges in iron-catalyzed two-electron transfer reduction. Yet the primary excited-state relaxation pathways and distinct redox-upconverting intermediates during photolysis remain uncharacterized. Here, we target these elusive species and mechanisms through multireference quantum chemistry investigations on photolysis of tris(oxalato)ferrate(III) [FeIII(C2O42-)3]3-. We identify multiple relaxation pathways and transient intermediates upon relaxation of the ligand-to-metal charge transfer (LMCT) and ligand-centered states and uncover a localized-to-delocalized state crossover governing C-C bond cleavage. The photolytic intermediate [(C2O42-)2FeII(CO2•-)]3- may undergo either CO2•- elimination or further transformation into other intermediates, including both sextet [(C2O42-)2FeII(-C•O2-)]3-/[(C2O42-)2FeIII(-OC••O2-)]3-/[(C2O42-)2FeIII(-C••O22-)]3-/[(C2O42-)2FeIII-O2-]3- and quartet [(C2O42-)2FeI(-CO2)]3- species. Solvation effect may influence the kinetic formation of these radical species. The ligand excited state relaxation is found to proceed through nonadiabatic crossing to LMCT states, or formation of a ferric diradical intermediate [(C2O42-)2FeIII(-OC•O-)2]3-, which may further either releases CO2•- or regenerates the initial reactant. This work gives additional insights to ferrioxalate photolysis and provides preliminary evidence for iron(III)-oxalate complexes as a facile, cost-effective photochemical platform to access highly reactive species.

PMID 42929607
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PubMedInorganic chemistry2026-10-26

M(IV)- and M(V)-Substituted {MW5} Lindqvist-Type Polyoxometalates from Plenary [W6O19]2- or WO3·H2O: A Gateway to Wider Systematic Reactivity Studies.

Shiels Dominic D, Lebbie Daniel D, Mohammed Amar A, Pascual-Borràs Magda M et al.

The reactivity of polyoxometalates (POMs) may be tuned by heterometal substitution into the POM framework, and systematic reactivity studies of these nanoscale molecular metal oxide structures require reliable, efficient synthetic methods. We have now shown that nonaqueous base degradation of either WO3·H2O or plenary (TBA)2[W6O19] (TBA)21 followed by reaction with heterometal precursors provides convenient, high-yield access to MIV- and MV-substituted {MW5} Lindqvist-type hexametalates [(iPrO)TiW5O18]3-2, [(MeO)MW5O18]3- (M = Ti 3, Sn 4), [{(MeO)MW5O18}2]6- (M = Zr 5, Hf 6) and [MW5O19]3- (M = V 7, Nb 8, Ta 9). Crystal structures of (TBA)65 and (TBA)66 showed the anions to be isostructural, and kinetic studies of CD3OD exchange revealed slightly slower exchange at Hf than Zr. For 5, DFT analysis of MeOH exchange revealed a transition state involving a six-membered ring via insertion of MeOH into a Zr(μ-OMe)Zr bridge. Alkoxide protonolysis reactions provided monomeric {LMW5} derivatives with 7-coordinate Zr or Hf, and X-ray crystal structures of (TBA)3[(PhCO2)ZrW5O18] (TBA)312, (TBA)3[(PhCO2)HfW5O18] (TBA)313 and (TBA)3[(acac)HfW5O18] (TBA)314 were obtained. Cyclic voltammetry showed one-electron couples for 3, 4, 7, 8, and 9 but not for dimeric 5 and 6, consistent with calculated reduction potentials for these {MW5} anions.

PMID 42929638
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PubMedMicrobiology spectrum2026-10-26

MSI-3, an improved version of the MSI application that includes both fungal and bacterial identifications for MALDI-ToF spectra.

Normand Anne-Cécile A-C, Godmer Alexandre A, Jami Mohammed M, Chauvin Pamela P et al.

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-ToF MS) is now central to routine diagnostics, enabling accurate identification of microbial species. We assessed the performance of MSI-3, the updated release of the free online mass spectrometry identification (MSI) platform that now supports bacterial, in addition to fungal, identification. MSI-3 was benchmarked against MSI-2 and the Bruker MALDI Biotyper using two fungal data sets: (i) a reference panel of 669 sequenced isolates (Panel 1), and (ii) a real-world set of user-submitted spectra (Panel 2). MSI-3 and MSI-2 demonstrated equivalent performance across all fungal groups in Panel 1, with 97.8% (mean of 892/912) concordance at the species or species complex level, and a massive added value compared to the Bruker database for filamentous fungi (from about 41% to about 98%). MSI-3 exhibited slightly longer identification times than MSI-2 (1.52 vs 0.84 s per spectrum), but remained compatible with real-time online usage. The increased identification time is offset by a twofold expansion of the reference database and algorithmic improvements. In Panel 2, MSI-3 achieved comparable performance to Bruker for bacterial and yeast spectra, and outperformed Bruker for filamentous fungi, especially Aspergillus spp., Fusarium spp., and dermatophytes. A new "uninterpretable" category was introduced in MSI-3 to flag potential mixed or poor-quality spectra, facilitating result interpretation. Overall, MSI-3 marks a substantial advance in the MSI platform, uniting flexibility, broad taxonomic coverage, and artificial intelligence (AI) readiness. Its combined use with Bruker enhances diagnostic performance, positioning MSI-3 as a powerful and scalable standard for microbial identification in clinical and research settings.IMPORTANCEThis article highlights the major importance of MSI-3 as a significant advancement in microbial identification using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-ToF MS). The expansion of the platform to bacterial identification, together with its already established fungal database and improved algorithms, now enables users to analyze mixed projects through a single workflow without additional sample handling or database switching. Used by more than 500 users worldwide, MSI-3 provides improved diagnostic performance, particularly for filamentous fungi, while offering a flexible and scalable solution for both clinical and research microbiology.

PMID 42929535
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PubMedDentistry journal2026-10-26

Influence of Continuous Chelation on Root Dentin: A Laboratory Study.

Correia Eva E, Ferreira Inês I, Lopes Maria Ascensão MA, Braga Ana Cristina AC et al.

Background/Objectives: Continuous chelation has emerged as an alternative to conventional sequential irrigation by combining sodium hypochlorite (NaOCl) with weak chelators in a single irrigant solution. This study evaluated and compared the effects of different final irrigation protocols on root dentin microhardness, chemical composition, and irrigant surface tension. Methods: Sixty extracted human canines were standardized for root length and canal lumen. Root dentin discs obtained from the middle third were randomly assigned to five groups according to the irrigation protocol: 3% NaOCl (total exposure time, 24 min), 17% EDTA (3 min), 3% NaOCl-DR HEDP (total exposure time, 24 min), 3% NaOCl/17% EDTA (NaOCl total exposure time, 24 min; EDTA 3 min), and 3% NaOCl/17% EDTA/3% NaOCl (NaOCl total exposure time, 24 min; EDTA 3 min). Dentin microhardness was assessed before and after treatment using the Vickers hardness test. Chemical composition was analyzed by energy-dispersive X-ray spectroscopy, and surface tension was measured using the pendant drop method. Data were analyzed using one-way ANOVA and Tamhane's T2 post hoc test (α = 0.05). Results: Dentin microhardness decreased by approximately 4.0% with NaOCl-DR HEDP, 4.1% with EDTA alone, 14.3% with NaOCl, 16.9% with NaOCl/EDTA/NaOCl, and 39.7% with NaOCl/EDTA. Post hoc analysis showed that NaOCl/EDTA resulted in significantly greater reductions in dentin microhardness than EDTA alone, continuous chelation with NaOCl-DR HEDP, and the NaOCl/EDTA/NaOCl protocol (p < 0.05). EDTA and NaOCl-DR HEDP exhibited the smallest reductions in microhardness and did not differ significantly from each other. Regarding chemical composition, NaOCl-DR HEDP induced intermediate changes in organic and inorganic components. NaOCl alone yielded the lowest carbon content, while EDTA and NaOCl/EDTA sequence showed the lowest calcium and phosphorus levels. Surface tension was highest for the H2O-HEDP solution, followed by 3% NaOCl-DR HEDP and 17% EDTA, and lowest for 3% NaOCl. Conclusions: Despite its higher surface tension, the continuous chelation protocol with NaOCl-DR HEDP preserved dentin microhardness to a similar extent as EDTA alone and promoted more moderate changes in dentin chemical composition than the conventional final irrigation protocols, particularly NaOCl/EDTA, suggesting a conservative effect on root dentin.

PMID 42930394
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