- A Modeling and Simulation Approach to Predicting Oral Absorption of a Weakly Basic Drug: Impact of Acid-Reducing Agents and Storage-Induced Increases in Free Drug Form. [Journal Article]
- CONCLUSIONS: Overall, this simulation model provides a practical approach for predicting gastric pH-dependent oral absorption while accounting for storage-induced changes in free drug form, and will contribute to more efficient formulation design and clinical development.
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- Identity Testing of Biopharmaceuticals using Nano-Differential-Scanning-Fluorimetry. [Journal Article]
- CONCLUSIONS: The nanoDSF method's robustness and rapid turnaround time support its suitability as an ID test for facilities handling multiple products and diverse product types. The selected data analysis approach does not require generation of statistical models enabling simplified method validation and implementation in QC.
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- Formulation Development and Characterization of Ibrutinib-Loaded Liposomes with Molecular Dynamics Insights. [Journal Article]
- CONCLUSIONS: The combined computational and experimental approach provided complementary molecular-level insights into liposome formulation behavior. Although the simulations did not predict quantitative outcomes, they offered mechanistic context that supported empirical findings. This approach demonstrated the potential utility of integrating MD simulations with experimental studies during early-stage formulation development.
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- Effects of Solvation and Noncovalent Interaction on Stabilizing the Molecular Structure of Etoricoxib. [Journal Article]
- CONCLUSIONS: The results demonstrate significant changes in the conformational distribution and molecular association of ETR in saturated solutions as a function of solvent. The conformations observed in solution correspond to those found in the known polymorphic and solvated forms of ETR, enabling comparison between molecular arrangements in the solution phase and the solid state.
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- Effect of Oral Creatine Supplementation on Plasma, Central, and Peripheral Creatine Levels in Creatine Transporter Deficiency Mice. [Journal Article]
- CONCLUSIONS: Oral creatine increases systemic creatine but fails to restore brain creatine under CRT-deficient conditions, underscoring the crucial role of CRT-mediated blood-brain barrier (BBB) uptake and the need to restore creatine transport across the BBB to elevate brain creatine levels. Furthermore, creatine intake should be controlled for proper diagnostic biomarker interpretation.
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- Time-Lapse Macro Imaging and LLM-Assisted Phenotypic Analysis of Release Dynamics in Nifedipine Controlled-Release Tablets. [Journal Article]
- CONCLUSIONS: Flow-through time-lapse imaging revealed process-level release features not represented by cumulative dissolution profiles. Combining transparent pixel-based measurements with structured LLM analysis provides an exploratory framework for comparing visible release phenotypes and generating hypotheses about release mechanisms in controlled-release tablets.
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- Preclinical Evaluation of a Nanoformulated Hydrogen Sulfide-releasing Dexamethasone for Topical Treatment of Psoriasis. [Journal Article]
- CONCLUSIONS: Although Dexa-TBZ did not demonstrate superior local efficacy, its lower systemic impact suggests an improved safety and tolerability profile, which may be advantageous for the long-term topical treatment of chronic conditions such as psoriasis.
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- An Integrated Framework for Evaluating Poor Biorelevant Stability during First-in-Human (FIH) Development. [Journal Article]
- CONCLUSIONS: This work integrates biorelevant stability, in vivo pH-modified pharmacokinetics, absorption modeling, pharmacology, and safety assessment within an exposure-based risk framework, supporting progression of an acid-labile compound into first-in-human clinical trials without premature formulation modification or extensive qualification studies.
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- Long-lasting Inhibition of L-type Amino Acid Transporter 1 by Nanvuranlat is Associated with Prolonged Cellular Retention Counteracted by Cancer-type OATP1B3 in Cholangiocarcinoma Cells. [Journal Article]
- CONCLUSIONS: Prolonged cellular retention of NVL contributes to long-lasting LAT1 inhibition in HuCCT-1 cells. Tumor retention of NVL may partly explain the discrepancy between plasma exposure and antitumor efficacy. Ct-OATP1B3 may modulate NVL retention and sustained pharmacological activity in HuCCT-1 cells.
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- A Hierarchical Dual-barrier Nanoparticle System Combining Solid Lipid Nanoparticles and Enteric Coating for Effective Oral Insulin Delivery. [Journal Article]
- CONCLUSIONS: The developed dual-barrier oral insulin delivery system provided enhanced gastrointestinal protection and sustained hypoglycemic effects after oral administration, supporting its potential as a formulation strategy for oral delivery of insulin and other peptide therapeutics.
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- Molecular Recognition and Immunopharmacological Implications of Serratiopeptidase Targeting Snake Venom Bradykinin-Potentiating Peptides. [Journal Article]
- CONCLUSIONS: Computational analysis identified BPP-4 as a promising serratiopeptidase-binding peptide, with differences in binding affinity and mechanical stability between WT and mutant complexes. The results offer insight into BPP-serratiopeptidase recognition at the molecular level and set the basis for future experiments on peptide binding.
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- Development of a Mechanistic Distribution Model for Predicting Drug Partitioning into Human Milk. [Journal Article]
- CONCLUSIONS: When integrated within a physiologically-based pharmacokinetic framework, the milk partitioning model provides a mechanistically robust and practical tool to support quantitative assessment of drug transfer into human milk and inform safer dosing strategies for breastfeeding populations.
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- Screening of Unexplored FDA-approved Inactive Ingredients as Stabilizers for Monoclonal Antibody Products. [Journal Article]
- CONCLUSIONS: Underexplored FDA-approved excipients, particularly isomalt and myo-inositol, improved mAb stability under thermal stress and represent promising candidates for further evaluation during therapeutic antibody formulation development.
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- Evaluating the Antimicrobial Activity of Curcumin-loaded Lipid Nanocarriers When Applying Photodynamic and Sonodynamic Therapy for the Treatment of Skin Infections. [Journal Article]
- CONCLUSIONS: The proposed formulation may be a promising alternative for improving curcumin properties, preserving its stability, and enhancing its antimicrobial activity, particularly when combined with ST.
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