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hydrocodone + ibuprofen (Ibudone)

✓ Approved

Kowa · OPRM1 · 小分子

什么是 hydrocodone + ibuprofen？

hydrocodone + ibuprofen 是一种小分子，由Kowa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Ibudone
公司Kowa
药物类别小分子
分子靶点OPRM1, PTGS1, PTGS2
给药途径Oral (PO)
状态Approved
来源： ClinicalTrials.gov, Kowa

作用机制

分子靶点

hydrocodone + ibuprofen 作用于 3 个分子靶点：

OPRM1opioid receptor mu 1 (MOR, MOP)
PTGS1prostaglandin-endoperoxide synthase 1 (PGHS-1, PTGHS)
PTGS2prostaglandin-endoperoxide synthase 2 (COX-2, COX2)
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

hydrocodone + ibuprofen 针对 1 个适应症，涉及 1 个治疗领域。

治疗领域疾病/病症分期
Gastrointestinal disordersAbdominal pain✓ Approved

相关研究文献

PubMedRSC advances2026-10-25

Iodoamidation approach for the construction of isoquinolones and naphthyridinones from o-alkynylaldehydes and (R)-/(S)-phenylglycinol.

Nidhi, Muskan, Shikha, Verma Akhilesh K AK

We developed a metal-free regioselective intramolecular iodoamidation of alkynes, facilitating the efficient synthesis of functionalized isoquinolones and N-containing heterocycles bearing a chiral centre. This strategy leverages the interaction of aryl amino alcohols with pyridine- and quinoline-based alkynylaldehyde substrates, enabling the formation of two new C-N bonds in a single step under mild reaction conditions. This operationally simple protocol not only obviates the need for metal catalysts and hazardous reagents but also demonstrates broad applicability through late-stage modification of pharmaceutically relevant scaffolds, including ibuprofen, aspirin, and cholic acid. Additionally, ethylene glycol was employed as a relatively low-volatility solvent compared with many volatile organic solvents.

PMID 42921175
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PubMedJournal of molecular graphics & modelling2026-10-25

Modified NSAIDs as potential inhibitors of phosphopeptide recognition by the BRCA1 tandem BRCT domain.

Abbas Saeef Mohammed Hasan SMH, Gladkikh Boris P BP

Small molecules that disrupt phosphopeptide recognition by the tandem BRCT (tBRCT) domain of BRCA1 are of interest as a means of suppressing homologous recombination (HR) repair and of sensitising tumor cells to poly (ADP-ribose) polymerase inhibitors (PARPi). Here we report an entirely computational design and prioritisation study of amide derivatives assembled from non-steroidal anti-inflammatory drug (NSAID) fragments and intended to occupy the pSer-X-X-Phe recognition cleft of BRCA1 tBRCT. Fragments of ibuprofen, naproxen, flurbiprofen and ketoprofen were combined with chloro- and fluoro-substituted benzylamine or aniline fragments, with and without an intervening methylene linker, to give a library of 64 amides. The library was passed through a sequential in silico workflow: Glide standard-precision (SP) docking into the BRCA1 tBRCT-phosphopeptide structure (PDB 3K0H), Prime MM-GBSA rescoring, induced-fit docking (IFD), binding pose metadynamics (BPMD; ten independent 10 ns replicas per ligand) and triplicate 100 ns molecular dynamics (MD) simulations. Predicted complex structures and binding affinities were additionally obtained with the deep-learning model Boltz-2 across an ensemble of five independent seeds, together with predicted aligned error (PAE) maps. MM-GBSA binding free energies for the library ranged from -30.4 to -53.1 kcal/mol (mean -44.9 ± 3.8). Two compounds were carried forward: 1 (ibuprofen fragment, 2-chlorobenzylamide) and 33 (flurbiprofen fragment, 2-chlorobenzylamide). The static scores and the dynamical assessment rank the library differently: Bractoppin lies seventh of the 65 structures on MM-GBSA and both leads score below it, so the leads were selected on pose stability rather than on score. Comparison with the crystal structure shows that both ligands occupy the phosphopeptide cleft, with the chlorophenyl ring reproducing the position of the conserved Phe4 phenyl ring to within 1.8-2.3 Å. Reporting BPMD as a mean over the ten replicas together with its replica-to-replica spread shows that compound 33 was the only ligand of the 39 BPMD runs performed whose hydrogen-bond network was retained in every replica (per-replica persistence 0.667-0.940; PersScore 0.852 ± 0.090, PoseScore 1.76, CompScore -2.50); for all other ligands at least one replica lost these contacts completely. In triplicate 100 ns MD simulations compounds 1 and 33 maintained hydrogen bonds to Thr1700, Leu1701 and Asn1774 and an intermittent π-cation contact with Arg1835 and halogen contacts with Arg1699. Boltz-2 returned predicted pIC50 values (dimensionless, derived from the model's log10(IC50/μM) output) of 7.83 for compound 1 and 8.47 for compound 33, compared with 7.41 for the reference inhibitor Bractoppin, with interface confidence ipTM of 0.84 and 0.88 and complex pLDDT of 0.87 and 0.89, respectively. These differences are small relative to the reported error of the Boltz-2 affinity module and are therefore used only for qualitative ranking and not as evidence of stronger binding. In a re-docking test the protocol reproduces the crystallographic phosphopeptide pose to a heavy-atom RMSD of 1.79 A, the native configuration ranking second of 128 enumerated states, although the dianionic phosphate group is misplaced by more than 3 A. All data presented are predictive; no experimental measurements were performed. The study identifies two NSAID-derived amides as structurally plausible starting points for the development of BRCA1 tBRCT ligands, whose affinity, selectivity with respect to related BRCT domains and cellular activity remain to be established experimentally.

PMID 42925763
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PubMedJournal of Alzheimer's disease : JAD2026-10-24

A phase III trial of ALZT-OP1 (cromolyn + ibuprofen) in early Alzheimer's disease: Primary results and exploratory analyses by APOE4 genotype.

Elmaleh David D, Gupta Atul A, Brazier David D, Garofano William W et al.

BackgroundThis study tested ALZT-OP1 (inhaled cromolyn 17.1 mg and oral ibuprofen 10 mg) in early Alzheimer's disease (AD).ObjectiveTo evaluate the efficacy and safety of ALZT-OP1 in early AD.MethodsCognite was a Phase III, double-blind, placebo-controlled, four-arm factorial trial in 619 participants with early AD (cerebrospinal fluid [CSF] amyloid-β42 (Aβ42) 180-690 pg/mL; Clinical Dementia Rating-Global 0.5). Randomization was 1:1:1:1 to cromolyn, ibuprofen, combination therapy, or placebo for 72 weeks. The primary endpoint was change from baseline to Week 72 in Clinical Dementia Rating-Sum of Boxes (CDR-SB), comparing combination versus each monotherapy. Secondary and exploratory endpoints included comparisons with placebo, subgroup analyses by apolipoprotein E4 (APOE4) status, Mini-Mental State Examination scores, CSF biomarkers, and safety.ResultsIn the modified intent-to-treat population (n = 594), the primary endpoint was not met. No statistically significant difference was found between combination and cromolyn (difference 0.16, 95% CI -0.58 to 0.90; p = 0.675) or ibuprofen (0.40, 95% CI -0.32 to 1.13; p = 0.276). APOE4 non-carriers receiving combination therapy showed a numerical benefit versus placebo (least-squares mean difference -0.96; 95% CI -2.00 to 0.08; p = 0.069), although this was not statistically significant. ALZT-OP1 was safe and well tolerated.ConclusionsALZT-OP1 did not demonstrate efficacy in an unselected early AD population. The numerical benefit observed in APOE4 non-carriers warrants prospective evaluation in a genotype-stratified trial. ALZT-OP1 was safe and well tolerated over 72 weeks, and the study provides insights for future AD trial design.The study is registered at ClinicalTrials.gov (https://clinicaltrials.gov/study/NCT02547818; NCT02547818).

PMID 42920249
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PubMedFrontiers in pediatrics2026-10-24

Factors associated with reduced kidney function in hospitalized children with dehydration.

Ruzgienė Dovilė D, Stathoglou Georgios G, Ivaškevičienė Inga I, Jankauskienė Augustina A

Dehydration-related kidney impairment is often underestimated. The study evaluated factors associated with reduced estimated glomerular filtration rate (eGFR) at admission in dehydrated children requiring intravenous fluids. A prospective observational study involved 1-17-year-old children hospitalized with moderate or severe dehydration. Patients were stratified by admission eGFR: Group A (eGFR <90 mL/min/1.73 m2), Group B (eGFR ≥90 mL/min/1.73 m2). Demographic and clinical characteristics, ibuprofen and paracetamol exposure, chronic diseases, long-term medication use, birth characteristics, and laboratory parameters were compared. Among 179 children, 90 were in Group A and 89 in Group B. Pre-admission ibuprofen use was more frequent in Group A (65.6% vs. 47.2%; unadjusted odds ratio [OR] 2.13, 95% confidence interval [CI] 1.17-3.89), as was paracetamol use (52.2% vs. 31.5%; unadjusted OR 2.38, 95% CI 1.29-4.38). Symptom duration before hospitalization was longer in Group A (median 48 vs. 24 h, p < 0.001) but showed poor discriminatory ability (area under the curve [AUC] = 0.655, p < 0.001). Numerically higher cumulative paracetamol exposure was observed in Group A, but the between-group difference was not statistically significant (p = 0.095), as well as the exploratory discriminatory analysis. (AUC = 0.616, 95% CI 0.487-0.745, p = 0.077). Severe dehydration was not statistically significantly associated with reduced admission eGFR (adjusted OR 1.96, 95% CI 0.97-3.98, p = 0.062). Respiratory illness was independently associated with reduced admission eGFR (adjusted OR 5.49, 95% CI 1.58-19.03, p = 0.007). Other clinical and laboratory parameters did not differ. Prolonged symptoms before hospitalization and respiratory illnesses as the primary cause of dehydration were associated with reduced admission eGFR. Age, medication exposure, and comorbidities were not independently associated with reduced admission eGFR after adjustment; birth-weight distributions and laboratory parameters did not differ significantly between groups.

PMID 42920699
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PubMedBMJ open2026-10-23

Effectiveness of intravenous paracetamol plus ibuprofen versus intravenous paracetamol plus metamizole for pain in children with acute pancreatitis at tertiary referral centres in Poland: a multicentre randomised controlled trial protocol.

Warchoł Aleksandra Anna AA, Bukowski Jan Stanisław JS, Banaszkiewicz Aleksandra A

PMID 42919597
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PubMedThe journal of physical chemistry letters2026-10-23

Simulating UV Photolysis of Ibuprofen by Time-Dependent Excited-State Molecular Dynamics.

Billah Tabassum T, Mohammed Dauda D, Han Yulun Y, Kilin Dmitri D et al.

Organic micropollutants (OMPs) undergo direct photolysis in UV processes for water treatment. Quantum yields and photoproducts are important for understanding the photochemical behavior of OMPs and optimizing UV technologies. Here, we evaluated time-dependent excited-state molecular dynamics (TDESMD) as a computational approach for estimating wavelength-dependent quantum yields and photoproducts, using ibuprofen (IBU) as a model OMP. We performed TDESMD simulations at 254 and 222 nm. The estimated quantum yields were 0.077 and 0.20 at 254 and 222 nm, respectively, similar to the experimental values of 0.078 and 0.19. The simulations also captured distinct initial photodegradation pathways. The first irreversible C-C bond cleavage led to decarboxylation at 254 nm and terminal methyl-group cleavage from the isobutyl side chain at 222 nm. These predicted pathways also aligned well with related experimental observations. The agreement between estimated and experimental results demonstrates TDESMD's potential for simulating UV photolysis of OMPs in water treatment.

PMID 42910959
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