采用GastroPlus软件发表的部分参考文献汇总(2026年1-7月)

基于PBPK的体内外关系指导双氯芬酸钠双释缓释制剂开发

Guiding a Diclofenac Sodium Dual-Release Sustained Formulation Development Through In Vitro-In Vivo Relationship Based on Physiologically Based Pharmacokinetics.

Wang Q, Guo P, Hu T, Li L, Zhu T, Pan Y, Xiang X, Wang J. Pharmaceutics. 2026 May 18;18(5):613.

基于PBPK建模与肾功能损伤儿科患者中亚胺培南的剂量调整

Physiologically based pharmacokinetic modeling and dose adjustment of imipenem in pediatric patients with renal impairment

Feng C, Xiao P, Qu Y, Fan K, Wang Y, Zhang X, Wang X, Pan J, Deng Y, Yu Y. Frontiers in Cellular and Infection Microbiology. April 10, 2026

补骨脂在斑马鱼中的生殖毒性：物质基础与临床安全用药的启示

Reproductive toxicity of Fructus Psoraleae in zebrafish: material basis and implications for clinical safety dosing

Shen X, Wang R, He J, Wang N, Zhang W, Zhou L, Li C, Zeng Y, Ao T, Deng H, Zhou K, Shen P, Gao Y, Zhou W. Phytomedicine. April 17, 2026

盐酸赛庚啶片体外溶出一致性研究

曹扬, 刘闯, 孙晶晶. 《中国药品标准》2026, 27(3)

基于溶出曲线与体内吸收模拟技术评价国产诺氟沙星口服固体制剂的等效性研究

鲍实，宋丽娟，孙荧，刘晨曦，庞璋帆，胡敏. 《中国药学杂志》2026年5月 第61卷第9期

基于PBPK 模型的空腹条件下非洛地平缓释片体内外相关性溶出方法的建立

李莹莹, 王国英, 王勤, 王小慧, 布仁, 兰航航, 高家敏, 周刚. 《药学与临床研究》2026 Apr;34(2)

卡马西平片桨法与流池法溶出曲线比较及体内外相关性研究

吴斌, 朱晓月, 朱雪彬, 张树栋, 胡琴，王琳，吴兆伟. 《中国新药杂志》2026年 第35卷第5期

生理药代动力学模型在肾脏组织应用研究的可视化分析

李佳锴，童焕， 袁芳，王鹏凯，李昕. 《中国医药导刊》2026年 第28卷第1期（总第267期）

硝苯地平控释片IVIVC 的建立

王亦婷，施亦杨，施斌，贺敦伟. 《生物化工》2025年12月 第11卷第6期

采用自上而下的PBPK建模方法，探究实验性口服制剂在犬体内出现意外生物不等效性的原因

A Top-Down Physiologically Based Pharmacokinetic Modeling Approach to Explore Unexpected Bio-inequivalence of Experimental Oral Formulations in Dogs.

Martinez MN, Lukacova V, Gao S, Myers MJ. Pharm Res. 2026 Mar;43(3):677-691.

将体外机制研究结果转化为体内毒性结果：以乌斯尼酸肝毒性为例

Translating In Vitro Mechanistic Findings to In Vivo Toxicity Outcomes: A Case Study of Usnic Acid Hepatotoxicity

Liu Y, Chen C, Gao X, Eckstrum K, Guo L, Campasino K, Headrick K. Toxicology and Applied Pharmacology. Volume 512, July 2026

长效注射制剂肌肉内给药的机制建模：考虑注射部位的组织反应

Mechanistic Modeling of Intramuscular Administration of a Long‑acting Injectable Accounting for Tissue Response At the Depot Site

Daniela A. Silva, Maxime Le Merdy, James Mullin, Nilesh Malavia, Khondoker Alam, Eleftheria Tsakalozou, Abdullah Al Shoyaib, Yan Wang, Diane Burgess, Viera Lukacova. The AAPS Journal (2025) 28:4

经临床前数据验证的PBPK模型对首次人体PK预测的影响：将已发表的模型构建策略应用于五类化合物

Impact of Preclinical Verification in Physiologically Based Pharmacokinetic Modelling for First-in-Human Predictions: Application of a Published Model Building Strategy for Five Compounds

Jackson C, Graves B, Tran T, Miller NA. Clinical Pharmacokinetics. 22 May 2026, Volume 65

定量估算临床个体内变异中的药代动力学参数

Quantitative Estimation of Clinical Intrasubject Variability of a Pharmacokinetic Parameter.

Hsu HJ, Casteel K, Yang S, Purohit V, Le V, Sagawa K. AAPS J. 2026 Jun 5;28(4):115

通过自举法建立长效注射混悬液的体外-体内相关性

Development of in vitro/in vivo correlation for long-acting injectable suspensions via bootstrapping.

Wan B, Veettil SRU, Li Y, Ho T, Foti C, Meena Harish Jain K.J Pharm Sci. 2026 Jun;115(6): 104277

PBPK建模在抗抑郁药中的应用：现有模型、应用及软件工具的综述

Physiologically Based Pharmacokinetic (PBPK) Modeling of Antidepressants: A Scoping Review of Existing Models, Applications, and Software Tools.

Huber RL, Scherf-Clavel O. Clin Pharmacokinet. 2026 Jul 7

菠菜对硫酸氢氯吡格雷片体外崩解和溶出的影响

Effect of Spinacia oleracea on In Vitro Disintegration and Dissolution of Clopidogrel Bisulfate Tablets.

Sadaqa D, Naseef HA, Radwan A, Rabba AK, Muqedi RHM. Pharmacol Res Perspect. 2026 Feb;14(1):e70223.

除体重法外：异速放大方法在药物开发中预测人体剂量的综合评述

Beyond Body Weight: A Comprehensive Review of Allometric Scaling in Drug Development for Human Dose Predictions.

Mallillin MC 3rd, Silva DA, Miller NA, Zhao S, Salami M, Löbenberg R, Davies NM. Pharmaceutics. 2026 Jul 3;18(7):824.

pH 梯度载药驴奶外泌体的综合设计与表征，用于奥曲肽的口服给药：从实验到计算机模拟的技术路线

Comprehensive design and characterization of pH-gradient-loaded donkey-milk exosomes for oral octreotide delivery: A bench-to-in silico roadmap.

Padakanti SC, Nathani A, Aare M, Bagde A, Li Y, Sun L, Dev S, Anderson D, Singh M. Int J Pharm. 2026 Apr 25;695:126768.

USP 3 装置用于开发琥珀酸去甲文拉法辛缓释片空腹和餐后生物预测性溶出方法的评价

Evaluation of USP 3 Apparatus to Develop Biopredictive Fasted and Fed Dissolution Methods for Extended-Release Desvenlafaxine Succinate Tablets.

Carapeto GV, Nunes BC, Duque MD, Issa MG, Ferraz HG. ACS Omega. 2026 Feb 19;11(8):13572-13580.

采用纳米边缘法制备第二代阿卡替尼纳米晶体以改善理化性质并用计算机预测其PK行为

Fabrication of Second-Generation Acalabrutinib Nanocrystals by Employing the Nano-Edge Method for Improving the Physico-Chemical Properties and Forecasting their In-Silico Pharmacokinetic Behaviour.

M B, Gupta U, Dhuri A, Kanp T, Rode K, Munagalasetty S, Bhandari V, Mukherjee S, Gulbake A, Singh PK. AAPS PharmSciTech. 2026 Jan 15;27(1):73.

伊曲康唑纳米乳：基于汉森溶解度与电荷驱动渗透及 GastroPlus 预测的体内性能

Itraconazole loaded nanoemulsions: Hansen solubility & charge-driven permeation and GastroPlus based predicted In vivo performance.

Hussain A, Altamimi MA, Shahid M, Alhabib B. Eur J Pharm Sci. 2025 Dec 1;215:107345.

通过 FDM 3D 打印推动个体化给药发展：具有可定制药物释放曲线和计算机模拟的酮洛芬片

Advancing Personalized Medicine Through FDM 3D Printing: Ketoprofen Tablets with Customizable Drug Release Profiles and In Silico Simulation.

Yasin HKA, Al-Tabakha MM, Chan SY. Pharmaceutics. 2025 Nov 19;17(11):1495

基于人工智能的 ANN 与 RSM-CCD 联合优化桂利嗪-多潘立酮双层片：体外评价及使用 GastroPlus 开展PBPK 建模

AI-driven ANN and RSM-CCD integrated optimization of cinnarizine-domperidone bilayer tablet: In-vitro evaluation and in-silico PBPK modeling using GastroPlus.

Ali A, Naeem Muhammad I, Iffat W, Tasneem S, Ahsan Ali S, Jameel Khan S, Siddique S. Pak J Pharm Sci. 2026 Feb;39(2):430-448.

消费者和理发师在使用含乙醛酸的美发产品后接触甲醛和草酸的定量评估

Quantification of the exposure of consumers and hairdressers to formaldehyde and oxalic acid after application of hair straightening products containing glyoxylic acid

Hewitt NJ, Goebel C, Diller J, Fuchs A, Fautz R, Blömeke B, Schwarz K, Terasaka S, Saito K, Justiniano R. Toxicology and Applied Pharmacology. Volume 515, October 2026.

一种基于纤维素聚合物的多元人工神经网络-中心复合设计整合模型，用于开发渗透控制型推拉式右旋布洛芬片剂及具有PK预测力的建模

A multivariate ANN-CCD integrative model using cellulose based polymers for the development of osmotically controlled push-pull dexibuprofen tablets and its predictive pharmacokinetic modeling

Mumtaz N, Yousuf RI, Shoaib MH, Ahmed K, Saleem MT, Siddiqui F, Farooqi S, Imtiaz MS. European Journal of Pharmaceutical Sciences Volume 225, 1 October 2026

通过头孢噻肟PBPK模型引导肾功能不全患儿的给药剂量优化

Physiologically based pharmacokinetic modeling of cefotaxime to inform pediatric dosing in renal impairment

Rahim N, Sarfraz M, Wahajuddin M. European Journal of Clinical Pharmacology. Volume 82, article number 196 (2026)

为何下一代机制模型将变革药物发现：整合疗效与安全性

Why Next-Generation Mechanistic Models will Transform Drug Discovery: Integrating Efficacy and Safety

Felizardo GSS, Costa VAF, Santos ESA, da Cunha LC, Neves BJ. Expert Opinion on Drug Discovery. July 8, 2026

通过PBPK模型评估依法韦仑、依曲韦林和沙奎那韦在前列腺癌中药物相互作用

Physiologically Based Pharmacokinetic and Drug–Drug Interaction Modeling of Efavirenz, Etravirine, and Saquinavir in Prostate Cancer

Pereira M, Vale N. Future Pharmacology. 29 June 2026

2025 AAPS 360 年会：体外释放、溶出测试及口服生物药剂学建模亮点

2025 AAPS 360 Annual Meeting: Highlights in In Vitro Release and Dissolution Testing and Oral Biopharmaceutics Modeling

Gousous JA, Bapat P, Chendo CID, Fotaki N, Gray VA, Hermans A, Ju RT, Mendyk A, Mirza T, Mudie D, Nir I, O’Farrell C, Patel S, Salehi N, Shah D, Shen K, Sinko B, Sperry DC, Tiwari S, Tsume Y, Turner DB, Wang Y. Dissolution Technologies. June 1, 2026

基于模型的虚拟临床试验揭示，肾功能不全和体型是普萘洛尔治疗时PK变异性和导致药物相互作用风险的关键决定因素

Model-Based Virtual Clinical Trial Reveals Renal Impairment and Body Size as Key Determinants of Pharmacokinetic Variability and Drug-Drug Interaction Risk in Propranolol Therapy

Marques L, Vale N. Pharmaceutics. May 22, 2026

使用肺生理学的PBPK建模预测吸入型尼达尼布制剂在临床中人体体循环和区域药代动力学

Pulmonary Physiological-Based Pharmacokinetic (PBPK) Modeling for Clinical Systemic and Regional PK Prediction of Inhaled Nintedanib Drug Products

Masum ZU, Gupta V. The Journal of Pharmacology and Experimental Therapeutics. May 11, 2026

利用机制性PBPK建模，识别影响咪达唑仑在颊黏膜吸收的口腔微环境因素

Mechanistic PBPK Modeling Identifies Oral Microenvironment Determinants of Buccal Midazolam Exposure

Lee J, Gukasyan HJ. Drug Metabolism and Disposition (DMD) May 11, 2026

尼古丁生理药代动力学PBPK模型的开发

Development of a Physiologically Based Pharmacokinetic (PBPK) Simulation Model for Nicotine

Bae SH, Kim B, Bashar M, Yi B, Rahman MA, Awuah P, Hartog M, Panarsky R, Zhang T. Drug Metabolism and Disposition (DMD) May 1, 2026

药物–微生物群–药物相互作用影响帕金森病的联合用药

A drug–microbiome–drug interaction impacts co-prescribed medications for Parkinson’s disease

Verdegaal AA, Oh J, Javdan B, Wang R, Wu Q, Wang TRW, González-Hernández JA, Donia MS, Crawford J, Goodman AL. Nature Microbiology. April 6, 2026

实现氯硝柳胺治疗胰腺癌老药新用的纳米制剂：提高生物利用度的速溶口服制剂

Nanoformulation Enabling Repurposing of Niclosamide for the Treatment of Pancreatic Cancer: Rapidly Soluble Oral Formulation for Enhanced Bioavailability

Dholariya BM, Patel K. Cancer Res. April 3, 2026

依托考昔 120mg 片剂在巴基斯坦健康受试者中的PK评估：体内-计算机模拟桥接生物等效性研究

Pharmacokinetic evaluation of etoricoxib 120mg tablets in healthy human Pakistani volunteers: In-vivo in-silico bridging for bioequivalence

Masood SH, Muhammad IN, Siddiqui F, Saleem MT, Raza ML. Pakistan journal of pharmaceutical sciences. March 30, 2026

帕博西尼负载 PLGA 长效肌内注射剂用于 HR+/HER2−转移性乳腺癌姑息治疗的计算机模拟设计

In Silico Designing of Palbociclib Loaded Plga Long-Acting Intramuscular Injection for Palliative Therapy of HR+/HER2− Metastatic Breast Cancer

Suryawanshi R, Joseph A, Malayandi R. Journal of Pharmacy and Pharmacology. March 23, 2026

整合系统毒性和毒代动力学数据，以确定在农药人体健康安全性评估中是否需要进行亚慢性犬类研究

Integrating Systemic Toxicity and Toxicokinetic Data to Inform the Need for Subchronic Dog Studies in Human Health Safety Assessments of Agrochemicals

Murphy L, Mingoia R, Bianchi E, Lukacova V, Domoradzki J, Terry C, Gehen SC, Brunner R, Myer A, Ingle BL, Hoer D, Tan YM. Regulatory Toxicology and Pharmacology. March 16, 2026

吸入型催产素的 I 期评估：基于PBPK模型指导的新型热稳定催产素给药系统的剂量方案设计

A Phase 1 Evaluation of Inhaled Oxytocin: Physiologically-Based Pharmacokinetic Model Informed Dosing of a Novelheat-Stable Oxytocin Delivery System

Lambert P, Kirkpatrick CMJ, Marriott R, Chaudhuri S, Polidori D, Remmerie B, McIntosh MP. British Journal of Clinical Pharmacology. March 15, 2026

大麻色烯与大麻二酚在耐药性乳腺癌中的药代动力学研究及协同抗肿瘤效应

Pharmacokinetic studies and synergistic antitumor effects of cannabichromene and cannabidiol in drug-resistant breast cancers

Aare M, Padakanti SC, Bagde A, Lazarte JM, Dev S, Lewis C, Singh M. Drug Delivery and Translational Research. February 11, 2026

建立对利福平介导的 CYP3A 诱导的PBPK建模的信心：工业界视角

Building Confidence in Physiologically BasedPharmacokinetic Modeling of CYP3A InductionMediated by Rifampin: An Industry Perspective

Reddy MB, Cabalu T, De Zwart L, Ramsden D, Dowty M, Taskar KS, Badée J, Bolleddula J, Boulu L, Fu Q, Kotsuma M, Leblanc AF, Lewis G, Liang G, Parrott N, Pilla Reddy V, Prakash C, Shah K, Umehara K, Mukherjee D, Rehmel J, Hariparsad N. Clinical Pharmacology & Therapeutics. February 1, 2026

使用机器学习预测数据作为输入和大量体内PK数据集的高通量PBPK模型预测啮齿类动物PK

High-Throughput Physiologically Based Pharmacokinetic Model for Rodent Pharmacokinetics Prediction Using Machine Learning-Predicted Inputs and a Large In Vivo Pharmacokinetics Data Set

Bassani D, Andrews-Morger A, Zhang J, Docci L, Cecere G, Pähler A, Belubbi T, Laye P, Shih I, Parrott NJ. Molecular Pharmaceutics. January 30, 2026

研究大鼠口服吸收氰钴胺时的 SNAC 与药物比例

Investigating the SNAC-to-drug ratio for the oral absorption of cyanocobalamin in rats

Chiang PC, Liu J, Nagapudi K, Pang J, Plise EG, Dolton MJ, Durk MR. Journal of Pharmaceutical Sciences. January 28, 2026

开发阿司匹林的妊娠期-特异性生理药代动力学（PBPK）模型

Development of a Pregnancy-Specific Physiologically Based Pharmacokinetics (PBPK) Model for Aspirin

Collins-Smith A, Kammala AK, Phelps MA, Wang XM, Menon R, Costantine MM. CPT Pharmacometrics Syst Pharmacol. January 23, 2026

用于临床转化及预测Kratom主要生物碱与 Mitragynine 药物相互作用的PBPK模型

Physiologically Based Pharmacokinetic Model for Clinical Translation and Prediction of Drug Interaction of the Major Kratom Alkaloid, Mitragynine

Chiang YH, Kanumuri SRR, Berthold EC, Kamble SH, Gour A, Kuntz MA, Senetra AS, Mukhopadhyay S, Lin Z, McCurdy CR, Sharma A. ACS Pharmacology & Translational Science. January 13, 2026

使用桂利嗪的超分子有机凝胶作为潜在的胃滞留系统：体外与计算机模拟

Supramolecular Organogels Based on Cinnarizine as a Potential Gastroretentive System: In Vitro and In Silico Simulations

Mohamed MBM, Hameed G, Sahib MN, Kadoori Z, Mahmood HS, Khudhair AA. Gels. January 8, 2026

PBPK 平台中 IVIVC 去卷积方法的探索：以托法替布为例

Exploration of IVIVC Deconvolution Methods in a PBPK Platform: Case Example with Tofacitinib

Hens B. The AAPS Journal. January 5, 2026

番木瓜叶提取物口服 Pro‑Transferosome 片剂：Box–Behnken 优化及登革热相关血小板减少症的采用计算机考察其机制的研究

Oral Pro‑Transferosome Tablets of Carica papaya Leaf Extract: Box–Behnken Optimization and In Silico Mechanistic Insights for Dengue‑Associated Thrombocytopenia

Maccha KS, Bobbarjang N, Babu C N, Pallvi R, Yellaboyala R, Yasmin S, Sainath B, Muthyalu C. Journal of Pharmaceutical Innovation. January 3, 2026

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