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theophylline (Unifyl / Uniphyllin / theophylline, Napp)

✓ Approved

Purdue Pharma L.P. · ADORA1 · 小分子

什么是 theophylline？

theophylline 是一种小分子，由Purdue Pharma L.P.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

商品名Unifyl, Uniphyllin, theophylline, Napp
公司Purdue Pharma L.P.
药物类别小分子
分子靶点ADORA1, ADORA2A
给药途径Oral (PO)
状态Approved
来源： ClinicalTrials.gov, Purdue Pharma L.P.

作用机制

分子靶点

theophylline 作用于 2 个分子靶点：

ADORA1adenosine A1 receptor (RDC7)
ADORA2Aadenosine A2a receptor (A2aR, RDC8)
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。

治疗适应症

theophylline 针对 3 个适应症，涉及 1 个治疗领域。

治疗领域疾病/病症分期
Respiratory, thoracic and mediastinal disordersAsthma✓ Approved
Respiratory, thoracic and mediastinal disordersBronchitis chronic✓ Approved
Respiratory, thoracic and mediastinal disordersChronic obstructive pulmonary disease✓ Approved

相关研究文献

PubMedPhysical chemistry chemical physics : PCCP2026-09-10

Elucidation of hydrogen bonding networks in theophylline cocrystals by 1H-detected 17O and 14N solid-state NMR spectroscopy.

Bequette Joseph P JP, Riemersma Kipper K, Carnahan Scott L SL, Paterson Alexander L AL et al.

Determining hydrogen bonding networks and proton positions in pharmaceutical cocrystals remains challenging, particularly for microcrystalline materials and systems involving strong hydrogen bonds and partial proton transfer. Here, we demonstrate a strategy that combines fast magic-angle spinning (MAS) solid-state NMR with 1H-detected 17O → 1H and 1H{14N} heteronuclear correlation experiments to directly probe hydrogen bonding interactions in theophylline-carboxylic acid cocrystals. Facile 17O enrichment of carboxylic acid coformers (benzoic, oxalic, maleic, and malonic acids) was achieved by isotope exchange with 17O-enriched water under mild conditions. Isotope exchange reactions can be easily monitored by 17O solution NMR spectroscopy. Two-dimensional 17O → 1H D-RINEPT and 1H{14N} D-HMQC spectra recorded with variable dipolar recoupling times enable assignment of overlapping 1H resonances and provide site-specific identification of intermolecular hydrogen bonds between theophylline and carboxylic acid coformers. High magnetic field SSNMR experiments (up to 25.8 T) further enhance 17O spectral resolution and enable resolution of overlapping 17O resonances associated with distinct hydroxyl, carbonyl, and dynamically exchanging oxygen environments. Complementary 1H spin-diffusion and dipolar double-quantum experiments corroborate intermolecular contacts and confirm cocrystal formation. Experimental 17O and 14N solid-state NMR parameters are in good agreement with Gauge Including Projector Augmented Wave (GIPAW) density functional theory (DFT) calculations. Together, these results establish a practical multinuclear SSNMR approach for identifying hydrogen bonding networks in pharmaceutical cocrystals and other multicomponent organic solids.

PMID 42717882
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PubMedPhytotherapy research : PTR2026-09-06

Pharmacokinetic and Pharmacodynamic Interactions Between Anti-Asthma Drugs and Medicinal Plants: A Comprehensive Review.

Kocyigit Emine E, Bülbül Aylin A, Kocaadam-Bozkurt Betul B, Bozkurt Osman O et al.

Asthma affects 260-300 million people worldwide. About 20%-35% of patients use medicinal plants with their asthma medication, often without telling their clinicians. Disclosure rates are low; up to 42% of asthma outpatients use herbal products, with no records in their charts. Previous reviews discussed herb-drug interactions and asthma phytotherapy separately. There is no combined pharmacokinetic, pharmacodynamic, and toxicological evidence for all modern anti-asthma agents. This review closes that gap. It draws from mechanistic, preclinical, and clinical data. It looks at eight common botanicals: Glycyrrhiza glabra, Curcuma longa, Nigella sativa, Boswellia serrata, Tylophora indica, Adhatoda vasica, Astragalus membranaceus, and Piper nigrum. The review explains how these botanicals affect cytochrome P450 isoenzymes, Phase II conjugative enzymes, and membrane transporters, including P-glycoprotein. It also considers shared adrenergic, glucocorticoid-receptor, and inflammatory targets of inhaled corticosteroids, β2-agonists, leukotriene receptor antagonists, theophylline, and biologic agents. These interactions create clinical hazards. For example, Hypericum perforatum increases CYP3A4 activity by up to 11-fold and can destabilize theophylline and corticosteroid levels. Ephedra sinica causes dose-dependent sympathomimetic toxicity, which worsens β2-agonist cardiovascular risk. Glycyrrhiza glabra may trigger pseudoaldosteronism and hypokalaemia by inhibiting 11β-hydroxysteroid dehydrogenase type 2. Ginkgo biloba has been tied to bleeding events. Turmeric, previously seen as safe, now appears in drug-induced liver injury registries. Compositional variability adds to the risk; for example, hyperforin content can range from 0.01% to 1.89%, and ephedrine content varies by more than 12-fold across products. This review places its findings in the context of the WHO Global Traditional Medicine Strategy 2025-2034. It identifies important herb-anti-asthma drug pairs, defines monitoring endpoints, and proposes a pharmacogenetically informed framework for safely integrating medicinal plants into asthma care.

PMID 42702401
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PubMedJournal of agricultural and food chemistry2026-09-01

Single and Multiple Infestation by Coccoid Pests in Coffee Shape Plant Chemical Defenses and Interactions Across Trophic Levels.

Carmo Enggel Beatriz Silva EBS, Macedo-Rego Renato C RC, Borg Alexander N AN, Caulfield John C JC et al.

Crop plants are attacked by multiple pests, inducing metabolic changes that shape interactions across trophic levels and influence the effectiveness of biological control. We examined how infestation by the coccoids Coccus viridis (scales) and Planococcus citri (mealybugs) modulates phytohormones, secondary metabolites, herbivore infestation, and behavior of the predator Cryptolaemus montrouzieri in Coffea arabica plants. Infestation by either scales or mealybugs activated the salicylate pathway but differentially regulated jasmonates and selected secondary metabolites. Scale infestation reduced mealybug performance, coinciding with elevated theophylline levels, whereas mealybugs activated jasmonates and upregulated several metabolites, including caffeine and catechin. The ladybug consumed coccoid pests and preferred mealybugs, but did not discriminate between scale- or mealybug-infested plant volatiles, suggesting limited specificity of herbivore-induced volatile blends in guiding predator foraging. Multiple infestation disrupted volatile-mediated attraction of the female ladybug. Our findings reveal the complexity of plant responses under multiple infestation and highlight species-specific interactions shaping tritrophic dynamics.

PMID 42677602
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PubMedInternational journal of molecular sciences2026-08-27

Computational Analysis of Sequence Editability in the Theophylline RNA Aptamer as a Functional RNA Module.

Aman Aamir A, Sidl Leonhard L, Darai Nitchakan N, Wolschann Peter P et al.

RNA aptamers are often used as ligand-recognition modules in engineered RNA systems, but integration into larger RNA constructs can influence stability and ligand binding. As a result, aptamer sequences may need to be adapted to new environments while preserving essential properties. Here, we examine this sequence editability problem for the theophylline RNA aptamer. Starting from the experimentally determined structure, we introduced targeted mutations in peripheral structural elements while leaving the recognition site unchanged. The native aptamer, mutated variants, a Mg2+-depleted system, and a caffeine-bound control were analyzed using three independent 1 μs molecular dynamics simulations. Binding energetics were estimated with multiple end-point as well as alchemical free energy approaches. Results were interpreted together with base pair stability, the conformational landscape of the binding pocket, and per-nucleotide energy contributions. This allows us to predict whether an edit is tolerated or disruptive. Some mutations retained structural and energetic profiles comparable to the native aptamer, whereas others reduced ligand affinity by propagating structural distortions into the binding pocket. These results show that sequence changes outside the binding site can modulate ligand binding indirectly, and that the ligand interaction network is useful for evaluating edited aptamers. The introduced workflow provides a novel combination of established computational strategies for efficient in silico screening of aptamer variants before experimental testing and can be integrated into the design of larger RNA structures. This works particularly well when an experimental structure is available and the tested mutations are small enough not to disrupt the folding pathway.

PMID 42653233
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PubMedPharmaceutics2026-08-27

Comprehensive Evaluation of Storage Stability and Cytotoxicity of Co-Spray-Dried Theophylline Dry Powders for Inhalation: Follow-Up Study.

Soliman Lomass L, Paróczai Dóra D, Burián Katalin K, Ambrus Rita R

Background/Objectives: The stability and biological safety of newly developed formulations must be established to support their therapeutic efficacy and clinical translation in pulmonary drug delivery. Therefore, this follow-up study comprehensively evaluated the short- and long-term stability and the in vitro cytotoxicity of optimized, co-spray-dried theophylline (THN) dry powders for inhalation against A549 lung epithelial cells. Methods: Two established formulations were selected: THN-RAF (raffinose-leucine-glycine based) and THN-TRE (trehalose-leucine based). Stability was assessed under accelerated conditions (40 °C/75% RH, 3 months) and long-term desiccator storage (25 °C, 1 year) using laser diffraction, SEM, XRPD, FTIR, DSC, TGA, and Andersen Cascade Impaction. As THN-TRE had been previously confirmed to be cytocompatible, only THN-RAF and its components were evaluated against A549 human alveolar epithelial cells using the MTT assay. Results: Under accelerated conditions, both formulations exhibited pronounced recrystallization (Xc up to 89.9%), agglomeration (D [0.9] up to 217.08 µm for THN-TRE), and deterioration in aerodynamic performance (FPF as low as 11.55%, MMAD up to 6.68 µm). By contrast, long-term desiccator storage induced substantial recrystallization (Xc up to 80.7%) while preserving thermal, chemical, and aerodynamic performance (FPF ≈ 40%; MMAD 4.99-5.21 µm). THN-RAF was more resistant to stress-induced agglomeration than THN-TRE. Cytotoxicity assessment confirmed cytocompatibility of THN-RAF, with cell viability exceeding 70.99% at all tested concentrations (up to 500 µg/mL). Conclusions: These findings reveal a marked discrepancy between the outcomes of ICH accelerated testing and long-term desiccator storage. They underscore the importance of considering moisture-protective packaging configurations when designing stability protocols for amorphous inhalable formulations.

PMID 42654144
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PubMedRespirology case reports2026-08-27

Shrinking Lung Syndrome in Adolescent Systemic Lupus Erythematosus: Diagnostic Utility of Diaphragmatic Ultrasound.

Farid Ayesha A, Basit Abdul A, Rana Ali Raza AR, Ahmed Sharaz S et al.

Shrinking lung syndrome (SLS) is a rare pulmonary complication of systemic lupus erythematosus (SLE), characterized by dyspnoea, reduced lung volumes, and elevated diaphragms without significant parenchymal lung disease. We report a 17-year-old female with SLE presenting with progressive dyspnoea, dry cough, and pleuritic chest pain. Pulmonary function tests showed a restrictive defect (forced vital capacity 39% predicted) with preserved diffusing capacity. High-resolution computed tomography demonstrated reduced lung volumes with bilateral diaphragmatic elevation and basal atelectasis, without interstitial lung disease. Diaphragmatic ultrasound revealed reduced excursion and decreased thickening fraction, indicating diaphragmatic dysfunction. Alternative cardiopulmonary and neuromuscular causes were excluded, establishing the diagnosis of SLS. The patient was treated with corticosteroids and theophylline, resulting in symptomatic improvement. This case highlights the importance of recognizing SLS and demonstrates the diagnostic value of diaphragmatic ultrasound as a non-invasive tool facilitating early diagnosis and management.

PMID 42656920
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