Molecules

21 pages, 902 KB

Open AccessArticle

Integrating GBS-Derived SNP Markers with Phytochemical Profiling and Anti-Obesity Enzyme Inhibition in Phyllanthus emblica

by Pimchanok Satapoomin, Thiplada Juntranon and Siriporn Sripinyowanich

Molecules 2026, 31(11), 1786; https://doi.org/10.3390/molecules31111786 - 22 May 2026

Abstract

Phyllanthus emblica L. is a nutraceutically important medicinal plant; however, the relationship between genetic variation and bioactive potential remains poorly understood. This study integrates genome-wide SNP analysis, phytochemical profiling, and functional bioassays to investigate cross-scale differentiation among fourteen cultivars. Genotyping-by-sequencing (GBS) identified 5644 [...] Read more.

Phyllanthus emblica L. is a nutraceutically important medicinal plant; however, the relationship between genetic variation and bioactive potential remains poorly understood. This study integrates genome-wide SNP analysis, phytochemical profiling, and functional bioassays to investigate cross-scale differentiation among fourteen cultivars. Genotyping-by-sequencing (GBS) identified 5644 high-quality SNPs from an initial dataset of 9018 SNPs, revealing moderate but structured genomic divergence (0.0275–0.0845). Phytochemical analysis of five commercial cultivars demonstrated significant variation (p < 0.05) in total phenolic content (6.58–15.53 mg GAE/gDW) and tannin content (284.52–333.81 mg TAE/gDW). Functional assays revealed strong anti-obesity potential, with crude extracts exhibiting superior α-glucosidase inhibition (up to 98.75%), while tannin-enriched extracts showed enhanced pancreatic lipase inhibition (up to 46.26%). Importantly, enzyme inhibition did not correlate directly with total phenolic or tannin content, indicating compound-specific bioactivity. LC-MS/QTOF analysis identified flavonoids (e.g., quercetin and kaempferol), phenolic acids, and other candidate metabolites potentially associated with enzyme inhibitory activity. These findings demonstrate a non-proportional association among genomic variation, metabolite composition, and functional bioactivity, suggesting that bioactivity may be influenced more strongly by compound-specific metabolite composition than by genome-wide similarity alone. Full article

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26 pages, 1409 KB

Open AccessReview

Functional and Bioactive Properties of Fermented Microalgae and Their Biomass for Health Applications

by Akif Emre Kavak and Enes Dertli

Molecules 2026, 31(11), 1785; https://doi.org/10.3390/molecules31111785 - 22 May 2026

Abstract

In recent times, the importance given to versatile functional nutrition has increased, escalating interest in fermented foods and their potential health benefits. Fermentation is an ancient method frequently used to develop functional and bioactive products. Fermented microalgae and their biomass are important sustainable [...] Read more.

In recent times, the importance given to versatile functional nutrition has increased, escalating interest in fermented foods and their potential health benefits. Fermentation is an ancient method frequently used to develop functional and bioactive products. Fermented microalgae and their biomass are important sustainable biotechnological resources for increasing the nutritional value, healthiness, and functionality of foods and for producing high-value-added bioactive compounds. The fermentation of microalgae encompasses the conversion of carbohydrates into sugar or organic substances by a range of microorganisms, particularly lactic acid bacteria (LAB). The fermentation process can activate numerous beneficial mechanisms by enhancing the bioavailability of bioactive compounds in microalgae. Lactic acid bacteria are widely used in food fermentation due to their safety and metabolic versatility. Their ability to produce organic acids, enzymes, and bioactive metabolites makes them suitable for modifying microalgal biomass. This review aims to provide a detailed and critical evaluation of fermented microalgae, including health effects, functional enhancements, bioactivities, and industrial applications. Full article

(This article belongs to the Special Issue Applications of Agro-Industrial By-Products in Health and Beauty: Innovative Strategies and Applications)

17 pages, 4194 KB

Open AccessArticle

Effects of Cardiomyopathic Mutations on the Cytoplasmic Tropomyosin Isoform Tpm1.7

by Svetlana G. Roman, Salavat R. Nabiev, Anastasia M. Kochurova, Galina V. Kopylova, Julia Y. Antonets, Sergey Y. Kleymenov, Valeriya V. Mikhaylova, Daniil V. Shchepkin, Alexander M. Matyushenko and Victoria V. Nefedova

Molecules 2026, 31(11), 1784; https://doi.org/10.3390/molecules31111784 - 22 May 2026

Abstract

Tropomyosins (Tpm) are the family of actin-binding proteins encoded by four genes in humans. Missense mutations in the TPM1 gene associated with cardiomyopathies have been studied in the sarcomeric isoform Tpm1.1. The cardiomyopathy-causing mutations E40K and E54K are located in exon 2b of [...] Read more.

Tropomyosins (Tpm) are the family of actin-binding proteins encoded by four genes in humans. Missense mutations in the TPM1 gene associated with cardiomyopathies have been studied in the sarcomeric isoform Tpm1.1. The cardiomyopathy-causing mutations E40K and E54K are located in exon 2b of the TPM1 gene and may be expressed in non-muscle cytoplasmic Tpm isoforms, including Tpm1.7, which is associated with early tissue development. In the present work, we investigate the effects of mutations E40K and E54K on the properties of Tpm1.7. The E40K and E54K mutations caused destabilization of the Tpm1.7 molecule at the N- and C-termini parts. Neither mutation affected the Tpm1.7 affinity for filamentous actin (F-actin). The bending stiffness of F-actin/Tpm1.7 E40K filaments was lower compared to F-actin/Tpm1.7 WT (wild-type). The interplay of Tpm1.7 and motor proteins was studied in an in vitro motility assay with skeletal myosin. Tpm1.7 WT reduced the sliding velocity of F-actin by half; the velocity of F-actin with Tpm1.7 E54K did not differ from that of bare F-actin; and Tpm1.7 E40K decreased the F-actin velocity by approximately threefold. While Tpm1.7 E40K did not affect the protective effect of Tpm1.7 against F-actin severing by cofilin-1, the E54K mutation enhanced protection against cofilin-1. Thus, cardiomyopathic mutations in the TPM1 gene can affect the properties of non-muscle Tpm isoforms, which indicates that this should be taken into account when studying the molecular mechanisms of the pathogenesis of these diseases. Full article

(This article belongs to the Section Chemical Biology)

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21 pages, 3426 KB

Open AccessArticle

Phytochemical Characterization and Evaluation of Antioxidant and Tyrosinase Inhibitory Activities of Verbascum wiedemannianum Essential Oil and Methanolic Extract

by Fatih Göger, Mehmet Tekin, Gülmira Özek, Süleyman Yur, Mevlüt Akdağ and Temel Özek

Molecules 2026, 31(11), 1783; https://doi.org/10.3390/molecules31111783 - 22 May 2026

Abstract

Verbascum species have long been recognized for their medicinal properties; however, detailed studies on the endemic species Verbascum wiedemannianum Fisch. & C.A. Mey. remain limited. The purpose of this study is to evaluate the antioxidant and anti-tyrosinase activities of essential oil (EO) and [...] Read more.

Verbascum species have long been recognized for their medicinal properties; however, detailed studies on the endemic species Verbascum wiedemannianum Fisch. & C.A. Mey. remain limited. The purpose of this study is to evaluate the antioxidant and anti-tyrosinase activities of essential oil (EO) and methanol extract (ME) derived from V. wiedemannianum, an endemic species from Türkiye. The EO was obtained by hydrodistillation, and its chemical composition was characterized using GC-FID and GC/MS. The principal constituents of the EO were palmitic acid (27.3%), myristic acid (11.9%), 1-octadecanol (13.0%), and pentacosane (6.6%). LC-MS/MS analysis of the ME identified luteolin and chrysoeriol derivatives as the predominant compounds. The antioxidant potential of both the EO and ME was evaluated using three assay systems based on electron transfer reactions: the Folin–Ciocalteu reagent, the Trolox equivalent antioxidant capacity assay, and the cupric ion (Cu²⁺) reducing antioxidant capacity assay. The potential skin care effects of the EO and ME were further evaluated using a tyrosinase inhibition assay. Across all the assays, the ME consistently showed notable activities, whereas the activity of the EO was less clearly defined. These findings indicate that the ME of V. wiedemannianum contains bioactive compounds with potential applications in natural antioxidant and skin care formulations. Further studies are warranted to clarify its therapeutic uses. Full article

(This article belongs to the Special Issue Back to Nature: Pharmacological Activities of Phytochemicals Isolated from Medicinal Plants)

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14 pages, 4400 KB

Open AccessArticle

Selective Hydrogenation of 1-Methylnaphthalene to 1-Methyldecalins with Supported Ni Catalysts for Hydrogen Storage: The Influence of the Nature of the Support

by Anastasiya Shesterkina, Valeriya Myakota, Petr Pribytkov, Sergey Dunaev, Gennady Kapustin, Igor Mishin, Natalya Gordeeva, Leonid Kustov and Alexander Kustov

Molecules 2026, 31(11), 1782; https://doi.org/10.3390/molecules31111782 - 22 May 2026

Abstract

1-Methylnaphthalene and the products of hydrogenation exhibit a high hydrogen storage capacity (6.6 wt.%), which makes them extremely promising as liquid organic hydrogen carriers. In this work, effective monometallic catalysts, 15Ni/Al₂O₃, 15Ni/Al₂O₃-SiO₂, and [...] Read more.

1-Methylnaphthalene and the products of hydrogenation exhibit a high hydrogen storage capacity (6.6 wt.%), which makes them extremely promising as liquid organic hydrogen carriers. In this work, effective monometallic catalysts, 15Ni/Al₂O₃, 15Ni/Al₂O₃-SiO₂, and 15Ni/Sib-ox, were synthesized and first investigated for hydrogenation of 1-methylnaphthalene to 1-methyldecalins. The prepared catalysts were characterized using a set of physicochemical analysis methods: SEM-EDX, TEM, XRD, N₂ adsorption–desorption, FTIR and UV-vis-DRS. The catalytic activity of the samples in the hydrogenation reaction of 1-methylnaphthalene (100 min, 4 MPa, 240 °C) was studied in comparison to the traditional catalyst of hydrogenation, Ni Raney. The 15%Ni/Sib-ox catalyst showed a 100% conversion and high selectivity of 85.2% with respect to the target product 1-methyldecalins, while in the presence of Ni Raney, a selectivity of 74.3% was achieved with complete conversion of the substrate. Full article

(This article belongs to the Section Green Chemistry)

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15 pages, 25889 KB

Open AccessReview

Pharmacological Effects and Mechanisms of Action of Myricanol

by Kai He, Hu Li, Han Sun, Ning Li, Tong Wang, Jian-Dong Jiang and Zong-Gen Peng

Molecules 2026, 31(11), 1781; https://doi.org/10.3390/molecules31111781 - 22 May 2026

Abstract

The bark of Myrica rubra (Lour.) Siebold & Zucc (M. rubra) is a natural remedy widely used in China and other Asian countries to treat tissue and bone injuries, burns, scalds, gastrointestinal ulcers, and diarrhea. Myricanol is an important ingredient in [...] Read more.

The bark of Myrica rubra (Lour.) Siebold & Zucc (M. rubra) is a natural remedy widely used in China and other Asian countries to treat tissue and bone injuries, burns, scalds, gastrointestinal ulcers, and diarrhea. Myricanol is an important ingredient in the bark of M. rubra. This review summarizes articles published over the past 26 years on the pharmacological effects and mechanisms of action of myricanol, aiming to advance research and applications of myricanol. Evidence shows that myricanol has multiple bioactive properties, including antioxidant, anticancer, anti-inflammatory, antimicrobial, antidiabetic, and antihyperlipidemic effects. Myricanol improves metabolic abnormalities in mice by activating the AMPK/SIRT1/PGC-1α signaling pathway. It also demonstrates significant anticancer, antioxidant, and anti-inflammatory actions, primarily by regulating Caspase and BCL-2 family proteins, inhibiting iNOS expression, scavenging free radicals, and interacting with Peroxiredoxin 5. Therefore, myricanol shows great potential for the treatment of cancer, metabolic abnormalities, and inflammatory bowel disease. Further research is needed to improve its bioavailability, confirm its pharmacological effects and mechanisms in vivo, and explore its pharmacokinetic properties and safety. Full article

(This article belongs to the Special Issue Bioactive Phytochemicals from Plants: Pharmacological and Therapeutic Applications)

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16 pages, 2261 KB

Open AccessArticle

Development and Optimisation of an HPLC–MS/MS Workflow for Profiling Selenium and Sulphur Amino Acids in Soybean Leaves and Investigation of Se–S Metabolic Interactions

by Xiaohui Cai, Jun Men, Qingwu Yang, Yili Hu and Zhixian Qiao

Molecules 2026, 31(11), 1780; https://doi.org/10.3390/molecules31111780 - 22 May 2026

Abstract

A derivatisation-free HPLC–MS/MS method was developed and validated for the simultaneous quantification of selenium- and sulphur-containing amino acids in soybean leaves, and applied to a 3 × 3 factorial hydroponic experiment probing selenium–sulphur metabolic interactions. The method resolves five biologically informative analytes (Cys [...] Read more.

A derivatisation-free HPLC–MS/MS method was developed and validated for the simultaneous quantification of selenium- and sulphur-containing amino acids in soybean leaves, and applied to a 3 × 3 factorial hydroponic experiment probing selenium–sulphur metabolic interactions. The method resolves five biologically informative analytes (Cys₂, SeCys₂, MeSeCys, Met, SeMet) within 1.5 min through multiple reaction monitoring (MRM). Ultrasound-assisted extraction (UAE) of the free fraction was jointly optimised for both analyte classes by the response-surface methodology; enzymatic hydrolysis of the extraction residue recovered the protein-bound fraction on the same platform. Limits of detection ranged from 0.036 to 0.556 µg L⁻¹, intra-day relative standard deviations were below 5%, and spike recoveries fell between 92.3 and 117.4%. Free SeAA and SAA pools were negatively correlated across the nine treatments (R² = 0.83), consistent with competitive Se–S assimilation, whereas bound pools were positively correlated (R² = 0.89), reflecting proportional protein-level incorporation. A regime of 1–5 mM of sulphate with 20 µM of selenite yielded the highest bound organo-Se with near-normal growth, providing leaf-level evidence that may inform future seed-focused studies aimed at Se-enriched soy-protein ingredient development. Full article

(This article belongs to the Special Issue Recent Advances in Extraction Techniques for Elemental Analysis)

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20 pages, 2713 KB

Open AccessArticle

Investigation of γ-Polyglutamic Acid for Heavy Metal Decontamination from Coal Gangue-Based Soil: Quantum Chemical Analysis and Experimental Investigation

by Jing Shi, Xiang Li, Shuo-Jiang Song and Li Feng

Molecules 2026, 31(11), 1779; https://doi.org/10.3390/molecules31111779 - 22 May 2026

Abstract

Heavy metal pollution from coal gangue severely degrades mine soil structure and threatens landscape ecological stability. Particularly, γ-polyglutamic acid (γ-PGA), a green biopolymer, offers potential applications for pollution remediation while supporting ecological restoration. To evaluate γ-PGA’s efficacy in immobilizing Pb, Cd, and Zn [...] Read more.

Heavy metal pollution from coal gangue severely degrades mine soil structure and threatens landscape ecological stability. Particularly, γ-polyglutamic acid (γ-PGA), a green biopolymer, offers potential applications for pollution remediation while supporting ecological restoration. To evaluate γ-PGA’s efficacy in immobilizing Pb, Cd, and Zn in gangue-based soil and clarify its regulatory mechanism for landscape-friendly remediation, soil samples from a 3-year-weathered gangue hill in the Liupanshui mining area were subjected to indoor leaching experiments with different γ-PGA doses, combined with material characterization and Density Functional Theory (DFT) simulations. The results showed that the optimal γ-PGA dose was 6 g/kg, achieving 93.25% Pb immobilization and reducing Cd/Zn migration risk by over 30%; γ-PGA acted via carboxyl-amide dual-site chelation and hydrogen-bonded agglomeration, forming stable aggregates that inhibited metal migration. DFT calculations confirmed strong chelation for Cu²⁺ (−59.54 kcal/mol, BSSE-corrected: −57.23 kcal/mol), while Pb²⁺ and Cd²⁺ showed weaker binding (−8.32 kcal/mol and −5.67 kcal/mol, BSSE-corrected: −6.15 kcal/mol and −3.89 kcal/mol, respectively), indicating multi-pathway immobilization mechanisms. This study provides a theoretical basis for applying γ-PGA in mine landscape ecological restoration. Full article

(This article belongs to the Section Applied Chemistry)

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21 pages, 1267 KB

Open AccessArticle

Facile Assembly of Structurally Diverse 2H-Pyrans Enabled by Chloropalladation-Initiated Carboetherification of Alkenes

by Fanghua Mao, Bowen Wang, Zhengwang Chen, Yin-Long Lai, Huanfeng Jiang and Jianxiao Li

Molecules 2026, 31(11), 1778; https://doi.org/10.3390/molecules31111778 - 22 May 2026

Abstract

3,6-Dihydro-2H-pyran heterocyclic framework is one of the currently developed heterocyclic building blocks in both pharmaceutical chemistry and organic synthesis, but with significant challenges. To overcome these challenges, herein, we report a robust synthetic methodology of palladium-catalyzed carboetherification of alkenes with alkynols [...] Read more.

3,6-Dihydro-2H-pyran heterocyclic framework is one of the currently developed heterocyclic building blocks in both pharmaceutical chemistry and organic synthesis, but with significant challenges. To overcome these challenges, herein, we report a robust synthetic methodology of palladium-catalyzed carboetherification of alkenes with alkynols for accessing polyfunctionalized 3,6-dihydro-2H-pyrans under aerobic oxidative conditions. In particular, this synthetic approach features excellent functional group compatibility, mild reaction conditions, and good step- and atom-economy. Additionally, an array of functional groups such as halogen group, ester, nitrile, aldehyde, phenoxy, and aromatic heterocycles were nicely tolerated, affording the synthetically challenging 2H-pyran derivatives in moderate-to-good yields. Notably, the practicability of this protocol is further verified by gram-scale synthesis and the late-stage diversification of pharmaceuticals and biologically active molecules. Full article

(This article belongs to the Special Issue Catalysis in Organic Chemistry: A Themed Issue Dedicated to Professor Johannes G. de Vries)

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20 pages, 4220 KB

Open AccessArticle

Droplet-Based Radiosynthesis and High-Throughput Optimization of Vinyl Sulfone Prosthetic Group ([¹⁸F]FVSB) and Peptide Bioconjugation

by Rajib K. Sarker, Jennifer M. Murphy and R. Michael van Dam

Molecules 2026, 31(11), 1777; https://doi.org/10.3390/molecules31111777 - 22 May 2026

Abstract

Fluorine-18 is often considered an ideal positron emitter owing to its excellent chemical, physiological, and nuclear properties. Consequently, the development of rapid, simple, and reliable ¹⁸F-labeling strategies remains critically important for synthesizing new radiopharmaceuticals for PET molecular imaging. A common approach involves [...] Read more.

Fluorine-18 is often considered an ideal positron emitter owing to its excellent chemical, physiological, and nuclear properties. Consequently, the development of rapid, simple, and reliable ¹⁸F-labeling strategies remains critically important for synthesizing new radiopharmaceuticals for PET molecular imaging. A common approach involves the synthesis of ¹⁸F-labeled prosthetic groups that subsequently undergo bioconjugation with peptides or other biomolecules to generate ¹⁸F-labeled imaging probes. However, conventional synthetic methods for these prosthetic groups are often lengthy, require large quantities of precursor and solvent, and typically rely on elevated reaction temperatures. Herein, we report a droplet-based microscale synthetic methodology for the preparation of the [¹⁸F]FVSB prosthetic group that minimizes precursor and solvent usage, proceeds rapidly, and operates at relatively low temperatures. Conditions were optimized using a platform for performing droplet reactions in parallel, enabling high-throughput study of multiple reaction parameters within a short period of time. Additionally, we introduce a simple micro-cartridge purification technique that affords purified [¹⁸F]FVSB in small volumes. Furthermore, we describe an efficient bioconjugation that requires substantially lower reagent amounts than the previously reported macroscale method. The microscale process we report could facilitate wider use of this ¹⁸F-labeling strategy and can be extended to label other thiol-bearing peptides or biomolecules. Full article

(This article belongs to the Special Issue Radiopharmaceutical Chemistry: Developments and Breaks)

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