Medicinal Chemistry and Pharmaceutics Commons^™

Chemical Composition And Mechanism Investigation Of Subfraction From Wuwei Zijin San Guided By Anti-Hepatic Fibrosis Activity, Yazhen Guo, Zhongzhi Qi, Yajuan Chen, Lijuan Nie, Mingyu Luo, Yuechen Guo, Hui Wu, Bengui Ye, Jun He

Journal of Food and Drug Analysis

BACKGROUND  Among the spectrum of hepatopathies that pose a significant global health threat, halting the progression of hepatic fibrosis is a key therapeutic objective. Wuwei Zijin San (WWZJS) is derived from a traditional Tibetan empirical formula, yet its efficacy against hepatic fibrosis, along with the underlying mechanisms and active ingredients, remains uncertain.

PURPOSE  The aim of this study was to investigate the protective effect of WWZJS against hepatic fibrosis, explore its underlying mechanisms and material basis, and evaluate the potential of direct interactions between the biologically active ingredients and their corresponding targets.

METHODS Chemical profiling of the active …

Simotang Oral Liquid Alleviates Functional Dyspepsia-Related Motility Dysfunction Through Ca²⁺-Dependent Smooth Muscle Contraction And Nrf2/Nf-Κb Modulation, Guo Mao, Chunxiang He, Jiaqin Liu, Dahua Wu, Puhua Zeng, Ye Mao

Journal of Food and Drug Analysis

Functional dyspepsia (FD) is a disorder of gut-brain interaction involving heterogeneous motor, sensory, immune, and oxidative stress-related mechanisms. Simotang oral liquid (SMT), a traditional Chinese medicine formulation used for dyspeptic and gastrointestinal motility-related symptoms, has not been evaluated with an integrated clinical, functional, and molecular framework. This single-arm prospective pre-post study assessed gastric emptying by the 13C-octanoic acid breath test, gastric electrical activity by electrogastrography, postprandial tolerance by nutrient drink testing, symptom scores, serum biomarkers, and gastric antral tissue markers in patients with FD. FD-like mice were used for charcoal meal transit, smooth muscle strip tension, calcium channel blockade, and …

Integration Of Freshness Monitoring And Active Packaging Technologies For Aquatic Products, Maria Ali, Abdul Waheed Ghanghro, Bheem Raj Serani, Mahrukh Zakir

Journal of Food and Drug Analysis

Aquatic products are nutritionally valuable but highly perishable, with quality loss driven by microbial spoilage, biochemical changes, including total volatile basic nitrogen (TVB-N), trimethylamine (TMA) and histamine, and physicochemical deterioration, including lipid oxidation, gas production and texture loss. Conventional packaging slows these processes but does not report real-time freshness. This review analyzes how active packaging (antimicrobial, antioxidant, enzyme-inhibiting, and oxygen-scavenging systems, including bio- and nanocomposites) can be combined with freshness monitoring technologies (colorimetric/pH indicators, gas sensors, biosensors, and digital tools such as radio frequency identification (RFID) and Internet of Things (IoT) systems) specifically for fish, shrimp, and mollusks. We first …

A Target-Responsive And Signal-Amplified Dna Hydrogel Biosensor For Visual And Quantitative Detection Of Aflatoxin B1, Haojie Du, Haoyue Liu, Yongshuai Li, Shiyi Wei, Xinning Wang, Yunxuan Weng, Xiaoying Zhao

Journal of Food and Drug Analysis

Aflatoxin B1 (AFB1) poses a severe threat to food safety due to its potent carcinogenicity. To address the need for rapid and on-site detection, this study developed a colorimetric biosensor based on an AFB1-responsive DNA aptamer-cross-linked sodium alginate hydrogel. Gold nanoparticles (AuNPs) were encapsulated within the hydrogel as a visual signal reporter. The sensing mechanism relies on target-induced dissociation of aptamer crosslinkers, leading to hydrogel disintegration and release of AuNPs. The hydrogel formulation was optimized regarding sodium alginate concentration and crosslinking conditions. To enhance sensitivity, an Exonuclease I (Exo I)-triggered target recycling strategy was implemented, which amplifies hydrogel network disruption …

Identification Of Ca2 As A Potential Candidate Gene Involved In The Therapeutic Effect Of Huatan Huoxue Decoction On Polycystic Ovary Syndrome: An Integrated Study Of Network Pharmacology, Mendelian Randomization, And Experimental Validation, Chan Zhu, Yijin Zhang, Panwei Hu, Cong Qi, Qiu Chen, Hong Yang, Jing Li

Journal of Food and Drug Analysis

Purpose: Huatan Huoxue decoction (HTHXD) is effective in treating polycystic ovary syndrome (PCOS); however, its underlying mechanisms of action remain unclear. Methods: Gene targets were obtained through Mendelian randomization (MR) analysis using druggable genes from public databases and genome-wide association study data for PCOS from the FinnGen R12 database. These targets were integrated with the active ingredients and protein targets of HTHXD retrieved from the TCMSP and BATMAN-TCM databases for network pharmacology analysis. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses were conducted. Core targets were validated using molecular docking. Experimental validation was performed using a letrozole-induced …

Outcome Evaluation Of Percutaneous Coronary Intervention Vs Medical Therapy Alone In Patients With Chronic Coronary Syndrome, Hsien-Yuan Chang, Hsin-Yu Fang, Mu-Shiang Huang, You-Zhen Chen, Di-Yung Chen, Edward Chia-Cheng Lai, Jung-Der Wang, Yi-Heng Li, Li-Jung Elizabeth Ku

Journal of Food and Drug Analysis

This study provides real-world evidence by comparing the long-term clinical outcomes of percutaneous coronary intervention (PCI) versus medical therapy alone in patients with chronic coronary syndrome (CCS) diagnosed non-invasively, given the lack of evidence in this population. This retrospective cohort study (2013-2018) utilized data from a medical center’s Cardiovascular Disease Databank, which was linked to national mortality records in Taiwan. Propensity score matching (PSM) and stabilized inverse probability of treatment weighting (IPTW) were applied to adjust for baseline differences between the PCI and medication-only groups. Major adverse cardiovascular events (MACE), including all-cause mortality, non-fatal myocardial infarction (MI), and revascularization, were …

Evaluating The Potential Of Cajanus Cajan (L.) Millsp. Root To Improve Atopic Dermatitis With Different Anti-Inflammatory Models And Active Compounds, Shu-Er Yang, Xiang-Ming Cai, Yu-Wen Chu, Jen-Chieh Tsai, Mey-Fann Lee, Tuzz-Ying Song

Journal of Food and Drug Analysis

Atopic dermatitis (AD) is a chronic inflammatory disease characterized by recurrent bacterial infections that cause pruritus, erythema, xerosis and thickening. Cajanus cajan root extract prepared with 95% ethanol (EECR95) has been shown to possess antioxidant, anti-inflammatory, and antibacterial properties in previous studies. This study aimed to evaluate EECR95’s ability to improve AD by inhibiting methicillin-resistant Staphylococcus aureus (MRSA) growth and reducing inflammation. This study found EECR95 effectively inhibits MRSA growth (IC₅₀ = 103.74 μg/mL) and reduces pro-inflammatory cytokine production in an MRSA-keratinocyte-macrophage model. LC/MS/MS analysis revealed the presence of active compounds- flavonoids, isoflavones, and flavonoid glycosides, highlighting EECR95's potential …

In Vitro Digestion Modifies Lepidium Meyenii Extract, Altering Its Major Glucosinolates, Lepidilines, Β-Carbolines, And Gut Bacterial Growth, Dominik Tarabasz, Ewa Baranowska-Wójcik, Paweł Szczeblewski, Tomasz Laskowski, Klaudia Gustaw, Marzena Furtak-Niczyporuk, Dominik Szwajgier, Rita Cristina Orihuela-Campos, Henry O. Meissner, Julia Borzyszkowska-Bukowska, Wirginia Kukula-Koch

Journal of Food and Drug Analysis

The tubers of Lepidium meyenii (commonly known as maca) have been used in the Andean cuisine for ages. The study aims to determine the behavior of the extract from the red phenotype of maca in the in vitro gastrointestinal tract model and also to define the overall impact of the extract on the microbiota. Glucosinolates, lepidilines, and a derivative of β-carboline alkaloid, i.e. 1-methyltetrahydro-β-5,6-hydride-carboline-3-carboxylic acid, as representatives of one of the main groups of metabolites were selected for the quantitative analysis after in vitro digestion at every stage of the digestion model. The results showed that lepidilines …

Urinary Antimony As A Biomarker For Differentiating Heroin And Brown Mixture Use, Shu-Mei Tsai, Yu-Han Hsiao, Yan-Zin Chang, Sai-Wai Ho

Journal of Food and Drug Analysis

Heroin is classified as a Schedule I controlled substance with severe legal consequences for its use, whereas liquid Brown Mixture (BM) is a legally available and commonly prescribed cough remedy in Taiwan. However, numerous cases of BM ingestion have been misinterpreted as heroin use because BM contains opium tincture, leading to similar urine test results. Owing to the rapid metabolism of heroin, detection of the parent drug and its primary metabolite, 6-acetylmorphine, in urine is difficult; thus, interpretation often relies on morphine concentration and the morphine-to-codeine (M/C) ratio, which can be inconclusive. In our BM analysis, the M/C ratio was …

Soybean Fermentation Broth Alleviates Indomethacin-Induced Gastric Mucosal Injury, Hsiao-Chi Wang, Yue-Jhu Chen, Hui-Yun Tsai, Jue-Liang Hsu, Yu-Kuo Chen

Journal of Food and Drug Analysis

Dietary strategies and plant-based fermented foods have attracted increasing interest for supporting gastrointestinal health, particularly under conditions of drug-induced mucosal stress. Soybean fermentation broth (SFB), a fermented soybean-derived product, may possess enhanced nutritional and functional properties through fermentation-associated generation of bioactive peptides and antioxidant metabolites. This study evaluated the gastroprotective effects of SFB in an indomethacin-induced gastric injury model in rats and investigated the underlying mechanisms. Indomethacin markedly induced gastric ulcer formation (16.61 ± 1.38 mm²), whereas SFB pretreatment significantly attenuated ulcer development in a dose-dependent manner, reducing ulcer area to 6.66 ± 0.98, 3.89 ± 0.63, and …

Garambullo (Myrtillocactus Geometrizans) Reduces Cell Viability Via Apoptosis And Inhibits Colony Formation In Ht-29 And Sw480 Colon Cancer Cell Lines., López-Alvarez Guadalupe Soledad, Gutierrez-Silerio Gloria Yareli, García-Solís Pablo, Morales-Bárcenas Rocio, Sánchez-Pérez Yesennia, Hernández-Puga Ana Gabriela, Vergara-Castañeda Haydé Azeneth

Journal of Food and Drug Analysis

Garambullo (Myrtillocactus geometrizans) is a Mexican fruit rich in bioactive phytochemicals. Its fermented extract (FEG), obtained after in vitro gastrointestinal digestion and fermentation, was evaluated in HT-29 and SW480 colorectal cancer cells. FEG reduced cell viability (IC50: 2985 and 3200 μg/mL, respectively) and induced apoptosis and necrosis. In 3D assays, FEG inhibited colony formation, with complete suppression in HT-29 cells. Molecular docking further suggested that butyric acid identified in FEG interacts with Caspase-3 and RIPK1. These findings support the antiproliferative and pro-death effects of FEG in colorectal cancer models.

Gut Microbiota-Mediated Modulation Of Circadian Rhythms: Physiological And Molecular Impacts Of Dietary Composition And Feeding Time, Yen-Chun Koh, Chun-Che Chang, Min-Hsiung Pan

Journal of Food and Drug Analysis

Circadian rhythms regulate fundamental aspects of physiology and behavior. The disruption of circadian rhythms has been associated with metabolic disorders, cardiovascular disease, obesity, and impaired immune function. Feeding behavior and gut microbiota represent two essential nodes within this regulatory network, as both are highly responsive to environmental cues such as diet composition and sleep-wake cycles. Research has shown that high-fat diets, excessive fructose, and chronic alcohol consumption perturb peripheral circadian rhythms and impair metabolic pathways, contributing to obesity and insulin resistance. Conversely, dietary interventions such as time-restricted feeding and macronutrient-specific entrainment can restore rhythmic gene expression and prevent metabolic pathologies. …

Benefits And Risks Of Consuming Cannabis Sativa L. In Food, Ewa Matyjaszczyk, Maria Śmiechowska

Journal of Food and Drug Analysis

Cannabis sativa L. or hemp is a cosmopolitan, multi-purpose plant and area of its cultivation has been growing in recent years. Its public perception is influenced by potential to produce narcotic substances. However, hemp seed can be a valuable source of nutrients for humans and may be of particular interest in more sustainable food consumption patterns, including vegetarian and flexitarian diets.

The paper presents benefits and risks of hemp seeds in case of their consumption in food. Low cannabinoids varieties are considered only. The biological activity of cannabinoids and related effects are considered out of scope of the study.

Nutritional …

Solvent-Dependent Cytotoxicity Of Peperomia Pellucida Leaf Extracts Against Mcf-7 Breast Cancer Cells, Ade Arsianti, Rafael Erlangga Bagas Pratama, Steven Gill, Diyah Kristanty

Indonesian Journal of Medical Chemistry and Bioinformatics

Background: Breast cancer remains a major global health burden. Particularly in Indonesia, limitations of conventional chemotherapy, such as severe side effect, toxicity, and high cost, indicating the necessitate the development of alternative therapeutic agents. Peperomia pellucida, a medicinal plant rich in bioactive phytochemicals, has shown promising anticancer potential; however, its cytotoxic activity against MCF-7 breast cancer cells and the influence of solvent polarity remains underexplored. This study aimed to evaluate the cytotoxic effects of P. pellucida leaf extracts which are prepared using different polarity of solvents (ethanol, ethyl acetate, and n-hexane).

Method: Dried leaf powder of P. pellucida was …

Elucidation Of Micro/Nanoplastic Signature Of Human And Murine Lung Tissue Utilizing Pyrolysis-Gas Chromatography/Mass Spectrometry, Aerlin D. Decker

Pharmaceutical Sciences ETDs

Micro-and Nanoplastics (MNPs) are ubiquitous biological pollutants that have been identified throughout a variety of biological samples. MNPs have been detected in several human tissues, such as the brain, kidneys, and liver. Lung tissue remains understudied for MNP accumulation despite the large surface area and clear path for exposure. Using Pyrolysis-Gas Chromatography Mass Spectrometry (Py-GC/MS), human lung tissue was evaluated for 12 different polymers, enabling quantification of total plastic per gram of tissue to be identified. Further analysis was performed with Inductively Coupled Plasma Mass Spectrometry (ICP-MS) to investigate heavy metal accumulation in human lung samples and determine whether a …

Optimization Of Gemifloxacin Immediate-Release Tablets Using Quality By Design, Jong Woo Kim, Hyun Bon Kang, Yeun Hee Kim, Kang Min Kim

Journal of Food and Drug Analysis

The objective of this study is to determine the design space (DS) for a dissolution-enhanced gemifloxacin immediate-release (IR) tablet incorporating hydroxypropyl-β-cyclodextrin (HPCD) for improved solubility, utilizing a quality by design (QbD) approach. Based on the preliminary studies, hardness, friability, disintegration time, assay, content uniformity, and dissolution rate were identified as the critical quality attributes (CQAs) for optimization. Through the initial risk assessment, crospovidone, main compression force, and the amount of granulating fluid were identified as factors influencing the CQAs, and a 2³ + 3 full factorial design of experiments (DoE) was conducted for optimization. According to the analysis of variance …

Pharmacological Potential Of Pomelo (Citrus Maxima) Peel: A Bibliometric Review Of Global Research Trends And Future Directions, Indah Zunita Sari, Alma Nur Azizah, Fitriana Nur Hanifah, David Fernando, Agung Endro Nugroho, Abdul Rohman

Journal of Food and Drug Analysis

Pomelo (Citrus maxima) is a widely cultivated tropical fruit with global production reaching approximately 8.55 million tons in 2023. This large-scale production generates a substantial amount of peel waste despite the fact that pomelo peel contains secondary metabolites with promising pharmacological potential. This study aimed to evaluate global research trends related to the pharmacological potential of pomelo peel using a bibliometric and review-based approach, as well as to identify future research directions. Data were collected from the Scopus database and filtered for English-language scientific articles, reviews, and conference proceedings. The analysis was performed using the Biblioshiny and VOSviewer …

Plant By-Products As A Valuble Source Of Natural Antiglycemic Compounds: Economic Aspects And Alternative Raw Material Sources, Tatjana Đorđević, Jelena Vujetić, Isidora Dickov, Diandra Pintać Šarac

Journal of Food and Drug Analysis

Plant by-products, often considered as waste in various agricultural and food processing industries, have emerged as a valuable source of natural antidiabetic or antihyperglycemic compounds. These compounds, derived from plant materials that would otherwise be discarded, have the potential to mitigate the global burden of diabetes and offer sustainable solutions for glycemic control. Prominent groups of natural antidiabetic compounds found in plant by-products are polyphenols, as well as bioactive proteins and peptides. In addition, agro-industrial residues such as wheat bran, oat husks, and fruit peels are excellent sources of carbohydrates that can be incorporated into functional foods to help manage …

Emerging Antifungal Strategies Against Candida Albicans Using Metal–Organic Frameworks And Novel Therapeutics: Opportunities And Challenges, Amanpreet Singh, Sandeep Kumar, Sehrabpreet Singh, Jeewanjot Singh

Journal of Food and Drug Analysis

Candida albicans is an opportunistic fungal pathogen responsible for infections ranging from superficial mucosal disease to life-threatening systemic candidiasis, particularly in immunocompromised hosts. Its pathogenicity is enhanced by morphological plasticity, biofilm formation, and immune evasion, contributing to antifungal resistance. Limitations of existing antifungals have driven interest in emerging therapeutics. This review highlights strategies including metal–organic frameworks (MOFs), host-directed therapies (HDTs), CRISPR-Cas9 gene editing, and phytochemicals. MOFs offer high drug-loading capacity, controlled release, and enhanced penetration into biofilms, showing promise against drug-resistant strains. Selected phytochemicals demonstrate inhibitory effects on virulence traits such as hyphal formation and enzyme secretion. CRISPR-Cas9 …

An Optical Fiber Caffeine Sensor Using A Molecularly Imprinted Polymethacrylic Acid Membrane Coated On Optical Fiber Surface As A Transducer, Josiah W. Miller, Jason D. Mccaslin, Shiquan Tao

Journal of Food and Drug Analysis

Caffeine is a neurotransmitter, important to human health. This compound exists in many food products, has been added to soft drinks, pharmaceutical drugs. For many applications, a field deployable technique for quick detecting caffeine is attractive. In this paper, we report a selective optical fiber caffeine sensor using a molecularly imprinted polymer (MIP) membrane as a transducer. The membrane extracts/concentrate caffeine from sample solutions significantly improved sensor’s sensitivity with a 95 times sensitivity improvement. The sensor achieved a detection limit of 0.20 µg/mL. This sensor was used to directly analyze caffeine in soft drink products without interference from sample matrix.