Scientia Pharmaceutica

15 pages, 497 KB

Open AccessArticle

Synthesis, Antimicrobial and Antiproliferative Activity of 1-Trifluoromethylphenyl-3-(4-arylthiazol-2-yl)thioureas

by Sreenivas Avula, Satish Koppireddi, Micky D. Tortorella and Cleopatra Neagoie

Sci. Pharm. 2026, 94(1), 11; https://doi.org/10.3390/scipharm94010011 - 19 Jan 2026

This study reports the exclusive and rapid synthesis of twenty-four derivatives of 1-((mono/bis)trifluoromethyl)phenyl-3-(4-arylthiazol-2-yl)thioureas (series 7, 9 and 11), along with their antimicrobial activities against Candida albicans, Mycobacterium smegmatis and seven additional bacterial strains. The anticancer potential of these compounds was [...] Read more.

This study reports the exclusive and rapid synthesis of twenty-four derivatives of 1-((mono/bis)trifluoromethyl)phenyl-3-(4-arylthiazol-2-yl)thioureas (series 7, 9 and 11), along with their antimicrobial activities against Candida albicans, Mycobacterium smegmatis and seven additional bacterial strains. The anticancer potential of these compounds was evaluated against various human cancer cell lines, including A549 (lung adenocarcinoma), HeLa (cervical carcinoma), IMR32 (neuroblastoma), MCF-7 (breast adenocarcinoma), HCT116 (colon cancer) and DU145 (prostate cancer). Among these, 1-(3,5-bistrifluoromethylphenyl)-3-(thiazol-2-yl)thiourea (7i) and 1-(4-trifluoromethylphenyl)-3-(4-(3-chlorophenyl)thiazol-2-yl)thiourea (11h) demonstrated significant antimicrobial activity against M. luteus, S. aureus, S. aureus 1 and C. albicans. Additionally, 1-(4-(3-chlorophenyl)thiazol-2-yl)-3-(3-trifluoromethylphenyl)thiourea (9g) and 1-(4-trifluoromethylphenyl)-3-(4-(2-fluorophenyl)thiazol-2-yl)thiourea (11g) showed activity against Mycobacterium smegmatis. The bioassay tests indicated that many of the thiourea derivatives exhibited moderate activity against the A549, HeLa, MCF-7 and HCT116 cancer cell lines. Full article

(This article belongs to the Special Issue Pharmaceutical Applications of Heterocyclic Compounds)

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29 pages, 2094 KB

Open AccessArticle

Phytomedicines for Mental Disorders in Hungary—Questionnaire and Phytochemical Analysis of Herbal OTC Products

by Tibor Rák, Edit Ormai and Györgyi Horváth

Sci. Pharm. 2026, 94(1), 10; https://doi.org/10.3390/scipharm94010010 - 15 Jan 2026

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Abstract

Mental health disorders, particularly anxiety and insomnia, are increasingly prevalent worldwide, prompting interest in herbal-based complementary therapies. This study surveyed 168 Hungarian healthcare professionals to evaluate their knowledge and recommendations regarding herbal sedatives and analyzed seven commonly suggested OTC products available in Hungary, [...] Read more.

Mental health disorders, particularly anxiety and insomnia, are increasingly prevalent worldwide, prompting interest in herbal-based complementary therapies. This study surveyed 168 Hungarian healthcare professionals to evaluate their knowledge and recommendations regarding herbal sedatives and analyzed seven commonly suggested OTC products available in Hungary, using thin-layer chromatography (TLC) and UV–Vis spectrophotometry according to the European Pharmacopoeia. The survey revealed that 86.9% of respondents recommend herbal products for nervous system complaints, with Valeriana officinalis and Melissa officinalis being the preferred ingredients. Herbal teas and traditional herbal medicines were the most frequently suggested product categories. Laboratory analysis confirmed the presence of marker compounds in all tested products; however, significant variability in active ingredient concentrations was observed. One homeopathic product contained an unidentified alkaloid-like compound, raising safety concerns. Essential oil yields from tea mixtures also varied markedly, and some products did not meet pharmacopoeial standards for hypericin content. These findings highlight the popularity of phytotherapy among healthcare professionals and the need for stricter quality control of OTC herbal sedatives. Future research should include multi-batch analyses and clinical trials to establish robust evidence for efficacy and safety. Full article

(This article belongs to the Topic Natural Products and Drug Discovery—2nd Edition)

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18 pages, 1758 KB

Open AccessReview

Computational Workflow for Chemical Compound Analysis: From Structure Generation to Molecular Docking

by Jesus Magdiel García-Díaz, Asbiel Felipe Garibaldi-Ríos, Martha Patricia Gallegos-Arreola, Filiberto Gutiérrez-Gutiérrez, Jorge Iván Delgado-Saucedo, Moisés Martínez-Velázquez and Ana María Puebla-Pérez

Sci. Pharm. 2026, 94(1), 9; https://doi.org/10.3390/scipharm94010009 - 13 Jan 2026

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Abstract

Drug discovery is a complex and expensive process in which only a small proportion of candidate molecules reach clinical approval. Computational methods, particularly computer-aided drug design (CADD), have become fundamental to accelerate and optimize early stages of discovery by integrating chemical, biological, and [...] Read more.

Drug discovery is a complex and expensive process in which only a small proportion of candidate molecules reach clinical approval. Computational methods, particularly computer-aided drug design (CADD), have become fundamental to accelerate and optimize early stages of discovery by integrating chemical, biological, and pharmacokinetic information into predictive models. This review outlines a complete computational workflow for chemical compound analysis, covering molecular structure generation, database selection, evaluation of absorption, distribution, metabolism, excretion and toxicity (ADMET), target prediction, and molecular docking. It focuses on freely accessible and web-based tools that enable reproducible, cost-effective, and scalable in silico studies. Key platforms such as PubChem, ChEMBL, RDKit, SwissADME, TargetNet, and SwissDock are highlighted as examples of how different resources can be integrated to support rational compound design and prioritization. The article also discusses essential methodological principles, data curation strategies, and common limitations in virtual screening and docking analyses. Finally, it explores future directions in computational drug discovery, including the incorporation of artificial intelligence, multi-omics integration, and quantum simulations, to enhance predictive accuracy and translational relevance. Full article

(This article belongs to the Topic Bioinformatics in Drug Design and Discovery—2nd Edition)

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22 pages, 4486 KB

Open AccessArticle

Astaxanthin as a Natural Photoprotective Agent: In Vitro and In Silico Approach to Explore a Multi-Targeted Compound

by Aida Lahmar, Balkis Abdelaziz, Nahla Gouader, Abir Salek, Imen Waer and Leila Chekir Ghedira

Sci. Pharm. 2026, 94(1), 8; https://doi.org/10.3390/scipharm94010008 - 13 Jan 2026

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Abstract

Ultraviolet B radiation is a major cause of skin aging, cellular senescence, and inflammaging, mediated by the excessive production of reactive oxygen species (ROS) and induction of apoptosis. This study evaluated the photo-protective effects of astaxanthin, one of the strongest natural antioxidants, in [...] Read more.

Ultraviolet B radiation is a major cause of skin aging, cellular senescence, and inflammaging, mediated by the excessive production of reactive oxygen species (ROS) and induction of apoptosis. This study evaluated the photo-protective effects of astaxanthin, one of the strongest natural antioxidants, in UVB-treated keratinocytes. The antioxidant capacity of astaxanthin was evaluated using ABTS, DPPH, and NBT/riboflavin/SOD assays. HaCaT cells were exposed to 30 mJ/cm² of UVB radiation. Photoprotective effects and accumulated ROS were evaluated in UVB-irradiated HaCaT cells by MTT and DCFH-DA assays. Nitric oxide levels were quantified using the Griess reagent. Apoptosis was assessed by dual staining using acridine orange/ethidium bromide, lysosomal integrity by acridine orange uptake, and cell migration by scratch assay. Cell adhesion was assessed on ECM-coated Nunc plates. Finally, we formulated a 0.5% astaxanthin-enriched cream. Astaxanthin mitigated UVB-induced damage by reducing intracellular ROS levels by 3.7-fold, decreasing nitric oxide production to 29.8 ± 7.7% at the highest concentration, and maintaining lysosomal integrity. The carotenoid significantly enhanced cell viability, increasing it from 60.64 ± 8.3% in UV-treated cells to 102.1 ± 3.22% at 40 µM. Moreover, treated cells showed a significant reduction (p < 0.001) in the apoptotic rate (37.7 ± 3.1 vs. 87.7 ± 3.8 in UVB-irradiated cells, as evidenced by reduced chromatin condensation and nuclear fragmentation. Astaxanthin also enhanced tissue repair, as evidenced by increased cell migration and adhesion to several extracellular matrix (ECM) proteins (poly-L-lysine, laminin, fibrinogen, vitronectin and collagen I). In silico molecular docking predicted strong binding affinities between astaxanthin and key cellular targets, including JAK2 (−9.9 kcal/mol, highest affinity), STAT3, FAK, COX-2, NF-k-B, MMP2, and MMP9. The formulated cream demonstrated an in vitro SPF of 7.2 ± 2.5. Astaxanthin acts as a multifunctional photoprotective compound, providing a strong rationale for its incorporation into cosmetic and dermatological formulations, as further supported by the successful formulation and in vitro SPF estimation of an astaxanthin-enriched cream. Full article

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16 pages, 1685 KB

Open AccessArticle

Pineapple-Derived Sodium Carboxymethylcellulose: Physicochemical Basis for Hydrogel Formulation

by Mateo Pérez-R, G. Orozco, A. González-Ruiz and Miriam V. Flores-Merino

Sci. Pharm. 2026, 94(1), 7; https://doi.org/10.3390/scipharm94010007 - 8 Jan 2026

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Abstract

The synthesis of sodium carboxymethylcellulose (NaCMC) from lignocellulosic pineapple stubble provides a renewable alternative to conventional cellulose sources for pharmaceutical applications. This study aimed to obtain NaCMC from pineapple biomass, characterize it according to pharmacopoeial specifications, and formulate hydrogels as a physicochemical proof-of-concept [...] Read more.

The synthesis of sodium carboxymethylcellulose (NaCMC) from lignocellulosic pineapple stubble provides a renewable alternative to conventional cellulose sources for pharmaceutical applications. This study aimed to obtain NaCMC from pineapple biomass, characterize it according to pharmacopoeial specifications, and formulate hydrogels as a physicochemical proof-of-concept for future drug delivery and tissue regeneration applications. NaCMC was successfully synthesized and met the requirements of the Mexican Pharmacopoeia. Hydrogels were prepared by blending NaCMC with gelatin and crosslinking with citric acid. Spectroscopic, morphological, and thermal analyses confirmed the structural equivalence between pineapple-derived NaCMC (NaCMC-Pi) and commercial NaCMC (NaCMC-Co). Swelling and gel fraction studies showed that NaCMC-Pi hydrogels exhibited a higher gel fraction, indicating a more crosslinked network, which corresponded to lower swelling capacity but higher thermal stability compared to NaCMC-Co hydrogels. Overall, these results demonstrate that pineapple stubble is a viable source of pharmaceutical-grade NaCMC and that the resulting hydrogels provide a robust physicochemical basis for future biomedical validation. The use of agro-industrial residues additionally offers a complementary sustainability benefit without compromising pharmaceutical performance. Full article

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12 pages, 1648 KB

Open AccessOpinion

Crocin Modified Drugs for Neuronal Trans-Differentiation: A Future Regenerative Approach

by Pratikshya Paudel and Prabir Kumar Gharai

Sci. Pharm. 2026, 94(1), 6; https://doi.org/10.3390/scipharm94010006 - 8 Jan 2026

Viewed by 187

Abstract

Neurodegeneration—driven by oxidative stress, chronic inflammation, and protein aggregation—underlies disorders such as Alzheimer’s disease, Parkinson’s disease, Huntington’s disease, and stroke. Current pharmacological treatments are largely symptomatic and do not restore lost neural circuitry, motivating regenerative approaches. Mesenchymal stem cells (MSCs) provide neurotrophic and [...] Read more.

Neurodegeneration—driven by oxidative stress, chronic inflammation, and protein aggregation—underlies disorders such as Alzheimer’s disease, Parkinson’s disease, Huntington’s disease, and stroke. Current pharmacological treatments are largely symptomatic and do not restore lost neural circuitry, motivating regenerative approaches. Mesenchymal stem cells (MSCs) provide neurotrophic and immunomodulatory benefits and can support synaptic repair, yet robust conversion into mature, electrophysiologically functional neurons remain challenging and often depends on complex inducer cocktails with translational limitations. Crocin, a saffron-derived carotenoid, is reported to enhance neurogenesis and neuroprotection in preclinical models through pathways including Wnt/β-catenin, Notch1, CREB/BDNF, and modulation of GSK-3β, while reducing apoptosis and inflammatory signaling. Here, we synthesize evidence supporting crocin’s neuroprotective and proneurogenic activity and propose a testable hypothesis that crocin-based or crocin-modified formulations could be evaluated as adjuncts to guide MSC neuronal lineage commitment. Importantly, direct evidence that crocin alone can drive MSC trans-differentiation into fully functional neurons is currently insufficient; future work should define functional benchmarks (electrophysiology, synaptogenesis, and phenotypic stability) and rigorously validate safety, dosing, and delivery strategies for neuroregenerative translation. Full article

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24 pages, 728 KB

Open AccessArticle

Development and Validation of HPLC Methods for the Quantitative Determination and Related Impurities of Naftifine Hydrochloride in Solution and Cream Dosage Forms

by Oleksandra Havrylenko, Yuliya Kondratova, Kateryna Typlynska and Liliya Logoyda

Sci. Pharm. 2026, 94(1), 5; https://doi.org/10.3390/scipharm94010005 - 31 Dec 2025

Viewed by 423

Abstract

The main goal of this study was to develop methods for quality control of naftifine hydrochloride in solution and cream forms, focusing on “Quantitative Determination” and “Related Impurities.” New, precise, accurate, and environmentally friendly high performance liquid chromatography (HPLC) methods were developed for [...] Read more.

The main goal of this study was to develop methods for quality control of naftifine hydrochloride in solution and cream forms, focusing on “Quantitative Determination” and “Related Impurities.” New, precise, accurate, and environmentally friendly high performance liquid chromatography (HPLC) methods were developed for the determination of naftifine hydrochloride and its impurities. “Quantitative determination” was performed using a diode array detector at 254 nm with an isocratic mobile phase (1.154 g of ammonium acetate R dissolved in 300 mL of water R, followed by the addition of 0.2 mL of glacial acetic acid R, mixed well) and methanol (30:70). The chromatographic columns Gemini C18 and Luna C18 were used. “Related impurities” were separated at 270 nm using a gradient mobile phase consisting of 10 M sodium octanesulfonate, 0.4 g/L disodium hydrogen phosphate anhydrous solution (pH 6.5), acetonitrile, and the Synergi Hydro-RP chromatographic column. The developed method, validated according to ICH guidelines, showed run times of 55 min for impurity analysis and 6 min for active ingredient determination. The methods were successfully applied to the quality control of the solution and cream. Full article

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28 pages, 1701 KB

Open AccessReview

Evolution, Validation and Current Challenges in Bioanalytical Methods for Praziquantel: From Fluorometry to LC–MS/MS

by Edwin Y. Valladares Chávez, Luis A. Moreno-Rocha, Lucia Ortega Cabello, Ponciano García-Gutiérrez and Jorge E. Miranda-Calderón

Sci. Pharm. 2026, 94(1), 4; https://doi.org/10.3390/scipharm94010004 - 31 Dec 2025

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Abstract

The accurate determination and quantification of praziquantel are essential for optimizing its therapeutic effectiveness in treating schistosomiasis and neurocysticercosis, two significantly neglected tropical diseases. Its challenging physicochemical profile, extensive metabolism, and stereochemical complexity requires robust analytical methods for reliable quantification in clinical, veterinary, [...] Read more.

The accurate determination and quantification of praziquantel are essential for optimizing its therapeutic effectiveness in treating schistosomiasis and neurocysticercosis, two significantly neglected tropical diseases. Its challenging physicochemical profile, extensive metabolism, and stereochemical complexity requires robust analytical methods for reliable quantification in clinical, veterinary, and pharmaceutical samples. This review provides a comprehensive and critical evaluation of analytical strategies used for PZQ determination, spanning fluorometric and radiometric assays, HPLC–UV, LC–MS, LC–MS/MS, and enantioselective chromatographic approaches. Particular emphasis is placed on the evolution toward highly sensitive LC–MS/MS methods and their alignment with contemporary regulatory expectations, including ICH M10 requirements. These advancements have significantly improved sensitivity, specificity, and reproducibility, which are crucial for pharmacokinetic, pharmacodynamic, and bioequivalence studies. Enantioselective methods for distinguishing PZQ enantiomers and metabolites are discussed. The aim of these innovations is to increase praziquantel bioavailability, improve patient adherence, and support its continued use in mass drug administration programs. Finally, the review highlights implementation challenges in resource-limited settings and proposes analytical models to expand global bioanalytical capacity. Together, these insights provide a structured foundation for selecting and developing high-quality, regulatory-compliant analytical methods for PZQ. Full article

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31 pages, 2836 KB

Open AccessReview

Nanotechnology for Metformin Release Systems: Nanostructures, Biopolymer Carriers, and Techniques—A Review

by Eneida Azaret Montaño-Grijalva, Francisco Rodríguez-Félix, José Agustín Tapia-Hernández, Enrique Márquez-Ríos, Carmen Lizette Del-Toro-Sánchez, Dora Evelia Rodríguez-Félix, Ricardo Nalda-Molina, Elizabeth Carvajal-Millan, Carlos Gregorio Barreras-Urbina, Itzel Yanira López-Peña and Cielo Estefanía Figueroa-Enríquez

Sci. Pharm. 2026, 94(1), 3; https://doi.org/10.3390/scipharm94010003 - 24 Dec 2025

Viewed by 331

Abstract

Currently, there are various approaches to the treatment of diabetes. Regarding type 2 diabetes (T2D), treatment focuses on blood glucose control. When changes in lifestyle do not achieve this glycemic control, the option is to start therapy with antidiabetic drugs such as metformin. [...] Read more.

Currently, there are various approaches to the treatment of diabetes. Regarding type 2 diabetes (T2D), treatment focuses on blood glucose control. When changes in lifestyle do not achieve this glycemic control, the option is to start therapy with antidiabetic drugs such as metformin. However, long-term metformin use causes disturbances that may affect treatment approaches. This review examines recent advances in nanotechnology that have developed new forms of drug administration that can improve the efficacy of the treatment, where nanomaterials, nanostructures, and nanoparticle design are involved, so that they provide controlled and gradual release. The use of biopolymers (as drug delivery systems) has ensured biocompatibility, biodegradability, and low toxicity. There are several methods for obtaining a drug delivery system, including electrospinning, electrospraying, nanoprecipitation, etc. These systems improve drug delivery and can be used orally, transdermally, or intravenously, among means of administration. This review describes the new forms of the administration of metformin in the treatment of T2D, based on the encapsulation of metformin in polymeric matrices such as proteins, polysaccharides, and lipids, among others. Full article

(This article belongs to the Topic Complementary Strategies in Drug Delivery: From Particle Engineering to System Optimization)

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19 pages, 2719 KB

Open AccessArticle

New Horizons in Quality Control of Enzyme Pharmaceuticals: Combining Dynamic Light Scattering, Fourier-Transform Infrared Spectroscopy, and Radiothermal Emission Analysis

by Gleb Vladimirovich Petrov, Aleksandr Andreevich Nazarov, Alena Mikhailovna Koldina and Anton Vladimirovich Syroeshkin

Sci. Pharm. 2026, 94(1), 2; https://doi.org/10.3390/scipharm94010002 - 22 Dec 2025

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Abstract

Hyaluronidase and its modified analogs are clinically significant enzyme-based pharmaceuticals used to treat fibrosis, increase tissue permeability, and improve drug diffusion. While pharmacopeial quality control methods are well defined, scientific literature provides limited information about the physicochemical evaluation of such enzyme pharmaceuticals, necessitating [...] Read more.

Hyaluronidase and its modified analogs are clinically significant enzyme-based pharmaceuticals used to treat fibrosis, increase tissue permeability, and improve drug diffusion. While pharmacopeial quality control methods are well defined, scientific literature provides limited information about the physicochemical evaluation of such enzyme pharmaceuticals, necessitating a more holistic analytical approach. Commercial pharmaceuticals of hyaluronidase and its modified analog were analyzed using a combination of dynamic light scattering, infrared spectroscopy, and detection of intrinsic radiothermal emission (RTE). Dimensional characteristics were studied using a Zetasizer Nano ZSP (ZetasizerNano ZSP, Malvern Instruments, Malvern, UK) confirmed theoretical diameters of 5–8 nm, consistent with experimental values (6–8 nm). Fourier-Transform infrared spectroscopy (FTIR) (Agilent Cary 630, Agilent Technologies, Santa Clara, CA, USA) revealed characteristic transmission bands for the modified enzyme at 1464, 1448, 1326, 1158, and 1010 cm⁻¹, confirming structural modification. RTE measurements using a TES-92 detector (TES Electrical Electronic Corp., Taipei, Taiwan) demonstrated a correlation between emission intensity and shelf life: 12.8 ± 0.8 µW/m² for proper shelf-life samples, 8.3 ± 0.8 µW/m² for six-month-expired, and 5.1 ± 1.0 µW/m² for one-year-expired pharmaceuticals. The study offers a promising supplementary tool for pharmaceutical quality control of hyaluronidase-based drugs. Full article

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16 pages, 2807 KB

Open AccessArticle

Crystallographic Modification of Rosuvastatin Calcium: Formulation, Characterization and Pharmacokinetic Evaluation for Enhanced Dissolution, Stability and Bioavailability

by Deepak Kulkarni and Sanjay Pekamwar

Sci. Pharm. 2026, 94(1), 1; https://doi.org/10.3390/scipharm94010001 - 19 Dec 2025

Viewed by 435

Abstract

Rosuvastatin calcium is a promising lipid-lowering agent and the drug of choice in hyperlipidemia. Conventional solid oral delivery of rosuvastatin is limited by its poor solubility and ultimately poor bioavailability. An attempt was made to fabricate the cocrystals of RSC for enhancing solubility [...] Read more.

Rosuvastatin calcium is a promising lipid-lowering agent and the drug of choice in hyperlipidemia. Conventional solid oral delivery of rosuvastatin is limited by its poor solubility and ultimately poor bioavailability. An attempt was made to fabricate the cocrystals of RSC for enhancing solubility and bioavailability. Cocrystals were prepared by a microwave synthesiser-assisted solvent evaporation technique with multiple cocrystal formers. Rosuvastatin-Ascorbic acid (RSC-AA) cocrystals showed the highest solubility (~5-fold increased) amongst all twenty drug-coformer combination (DCC). RSC-AA cocrystals (1:1 ratio) were further characterized by various analytical techniques like FTIR, DSC and XRD to confirm the formation of cocrystals. RSC-AA cocrystals also showed improved flow properties and compressibility in comparison with pure drug, and it was demonstrated using the SeDeM diagram. RSC-AA cocrystals were further formulated into an immediate-release tablet by implementing experimental optimization. Comparative dissolution study of the cocrystal and pure drug tablet revealed improved dissolution after cocrystallization. RSC-AA cocrystal tablet showed the % drug release of 95.61 ± 3.94 while RSC pure drug showed the drug release of 67.83 ± 3.29. In vivo pharmacokinetic analysis showed significant improvement in systemic availability and cumulative absorption of the drug. The peak plasma concentration (Cmax) for RSC pure drug was 13.924 ± 0.477 μg/mL, while RSC-AA cocrystals showed a peak plasma concentration of 22.464 ± 0.484 μg/mL. Area Under Curve (AUC) of RSC-AA cocrystal was also significantly greater compared to the pure drug. In the stability study analysis, the shelf life was calculated from a graphical method and was found to be around 34.58 months for RSC-AA cocrystal tablets and 19.87 months for RSC pure drug tablets, which indicates improved stability with cocrystallization. Overall, the cocrystallization resulted in significant improvement in dissolution and solubility of RSC. Full article

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Sci. Pharm., Volume 94, Issue 1 (March 2026) – 11 articles

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