Potential Biological Activity Research Articles

Metabolomics and Antioxidant Activity of Valonea from Quercus variabilis Produced in Different Geographical Regions in China

The genus Quercus is widely distributed globally and serves as a potential source of phenolic compounds, which are renowned for their potent biological activities. The primary objective of this study was to determine the concentrations of metabolite components and evaluate the relative antioxidant activities of valonea (acorn cups) from Quercus variabilis (Q. variabilis) of different geographic origins using a UPLC-ESI-MS/MS-based metabolomics approach. A total of 791 metabolite components were identified, with significant variations in their concentrations observed among samples from different geographic locations. Among these, 1-O-galloyl-β-D-glucose was identified as a key active compound. The biosynthesis of galloyl sugars, galactose metabolism, and pathways for starch and sucrose metabolism represent the three pathways that correspond to the differential metabolites, encompassing 23, 11, and 7 metabolites, respectively. The variations in the antioxidant effectiveness of valonea could mainly be linked to the synthesis of galloyl sugars. These findings improve our knowledge of the composition of valonea and offer valuable resources for its extensive utilization and focused development.

Inhibition Effects of Some Phenolic Anthraquinone Derivatives on Lactoperoxidase Activity: A Detailed in Vitro and in Silico investigation

The basic nutrient of all living beings in the developmental age is milk. Milk contains many things necessary for ideal nutrition. One of the enzymes found in bovine milk is lactoperoxidase (LPO; EC 1.11.1.7). The LPO system functions as a natural defense system, especially in newborn babies. Despite the many benefits of milk, contamination of breast milk with environmental toxins is common. Over time, people accumulate a lifetime load of chemicals from drugs to environmental pollutants, and these can be passed on to the baby during breastfeeding. Anthraquinones are colorful compounds that can be produced both naturally and synthetically. These compounds are widely used in industry and medicine due to their biological activities and colorful structures. In this study, in vitro enzyme inhibition study, molecular docking and molecular dynamics (MD) simulation parameters were examined to investigate the inhibitory potential of anthraquinone derivatives, which are widely used as coloring agents, against the lactoperoxidase enzyme. The inhibitors showed competitive inhibition with Ki values between 0.4964 ± 0.042–2.0907 ± 0.1044 µM. 1,2-Dihydroxy-anthraquinone was predicted to have the highest affinity on the LPO receptor, with estimated free binding energies of -7.11 kcal/mol. The stability of both ligand and protein, as shown by the low RMSD and RMSF values, shows that 1,2-dihydroxy-anthraquinone (2) maintains strong and stable interactions throughout the MD simulation, further supporting the high binding affinity and potential biological activity of the compound. We hope that this study will guide the development of drugs targeting the LPO enzyme with anthraquinone derivatives.

Therapeutic Prospects of Undaria pinnatifida Polysaccharides: Extraction, Purification, and Functional Activity

Undaria pinnatifida, an edible brown seaweed that is widely consumed in East Asia, has gained increasing recognition for its health benefits. Among its bioactive compounds, polysaccharides have attracted significant attention due to their diverse biological activity. This review provides a comprehensive overview of recent advancements in the extraction, purification, structural characterization, and bioactivity of U. pinnatifida polysaccharides. We discuss state-of-the-art extraction techniques, including ultrasound-assisted, microwave-assisted, and enzyme-assisted extraction, as well as purification strategies such as membrane separation and chromatographic methods. Furthermore, we highlight their potential biological activity, including antioxidant, immunomodulatory, anticancer, gut health-promoting, and anti-hyperglycemic effects, along with their underlying mechanisms of action. By summarizing the latest research, this review aims to provide valuable insights into the development and application of U. pinnatifida polysaccharides in functional foods and pharmaceuticals.

Expanding the Horizon of Pteridine Chemistry: Optimized Synthesis by the Isay Reaction, and Molecular-Docking Studies

AbstractThe Isay reaction was used to synthesize novel disubstituted pteridine derivatives. The pteridine scaffold was synthesized by reacting a mercaptopyrimidine derivative with a substituted diketone, followed by a reaction with a substituted phenylurea derivative. Standard physicochemical and spectroscopic techniques, such as FTIR, mass spectrometry, 1H NMR, D2O exchange, and HPLC confirmed the structures and purities of the synthesized compounds. Various key substituents on the phenylurea and on the pteridine scaffold were incorporated to explore their effects on the chemical and biological properties of the products. Molecular-docking studies against proteins PI3K (PDB ID: 4L23) and mTOR (PDB ID: 4JT6), showed promising interactions that supported the potential biological activity of the pteridine derivatives. These findings provide a strong basis for further optimization and biological evaluation, particularly in the development of novel anticancer agents.

Organocatalytic γ,γ‐Regioselective Formal (1+5) Cycloaddition of Isoindolinone‐Derived Propargylic Alcohols

AbstractAn organocatalytic γ,γ‐regioselective formal (1+5) cycloaddition of isoindolinone‐derived propargylic alcohols with 2‐indolylphenols was established, which afforded a series of indole‐fused chromanes with potential antitumor activity in overall good yields (up to 99 %). A tandem cycloaddition process was proposed based on detailed control experiments. Moreover, biological evaluation demonstrates the promising application of indole‐fused chromanes. This work not only established the first γ,γ‐regioselective (1+n) cycloaddition of isoindolinone‐derived propargylic alcohols, but also provided a good example of 1,5‐CO‐regioselective (5+1) cycloadditions involving 2‐indolylphenols for the synthesis of indole‐fused chromanes with potential biological activity.

Phytochemical and pharmacological properties of the genus Pseudotsuga.

Phytochemical and pharmacological properties of the genus Pseudotsuga.

Characterization of free and bound polymethoxyflavones in the dried peel of Citrus reticulata "Chachi" through fingerprint RDA ions and reversed-phase column retention by UPLC-Q-TOF-MS/MS.

Characterization of free and bound polymethoxyflavones in the dried peel of Citrus reticulata "Chachi" through fingerprint RDA ions and reversed-phase column retention by UPLC-Q-TOF-MS/MS.

Evodiamine rescues lipopolysaccharide-induced cognitive impairment via C/EBP-β-COX2 axis-regulated neuroinflammation.

Evodiamine rescues lipopolysaccharide-induced cognitive impairment via C/EBP-β-COX2 axis-regulated neuroinflammation.

Silk fibroin: An innovative protein macromolecule-based hydrogel/ scaffold revolutionizing breast cancer treatment and diagnosis - Mechanisms, advancements, and targeting capabilities.

Silk fibroin: An innovative protein macromolecule-based hydrogel/ scaffold revolutionizing breast cancer treatment and diagnosis - Mechanisms, advancements, and targeting capabilities.

Extraction methods, structural diversity and potential biological activities of Artemisia L. polysaccharides (APs): A review.

Extraction methods, structural diversity and potential biological activities of Artemisia L. polysaccharides (APs): A review.

Hydrolyzing collagen by extracellular protease Hap of Aeromonas salmonicida: Turning chicken by-products into bioactive resources.

Hydrolyzing collagen by extracellular protease Hap of Aeromonas salmonicida: Turning chicken by-products into bioactive resources.

Symmetrical di-substituted phenylamino-s-triazine derivatives as anticancer agents: in vitro and in silico approach.

A series of symmetrical tri-substituted s-triazine derivatives were designed and synthesized by two different methods (reflux and microwave-assisted methods). The structures of compounds were determined by infrared (IR), nuclear magnetic resonance (1H NMR and 13C NMR), and mass spectrometry. The yield of the microwave-assisted method (91-98%) was significantly higher (about 10%) than that of the reflux method (80-88%) meanwhile the reaction time was significantly shorter (15-30 min). Compound 3b showed good cytotoxic activity against the MCF7 (human breast cancer) cell line with an IC50 value of 6.19 μM. Compounds 3a and 2e showed strong cytotoxic activity against the C26 (colon carcinoma) cell line with IC50 values of 1.21 and 8.28 μM, respectively. Compound 3e showed good cytotoxic activity against both MCF7 and C26 cell lines with IC50 values of 13.74, and 14.66 μM respectively. In particular, compound 2d exhibited the best potent cytotoxic activity among the synthesized compounds against both MCF7 and C26 cell lines with IC50 values of 6.54 and 0.38 μM, respectively. Moreover, compounds 2e, 3a, and 3e showed higher selectivity on cancer cell lines and lower toxicity on BAEC (bovine aorta endothelial) normal cells compared to compounds 2d, 3a, paclitaxel, and doxorubicin. In silico studies revealed five potent compounds with good physicochemical and ADMET profiles and potent interactions with key anticancer targets (EGFR, DHFR, VEGFR2, CDK2, mTOR, and PI3K) compared to reference drugs. This work paved the way for the synthesis of more potent compounds based on the phenylamino-s-triazine scaffold and the exploration of their diverse and potential biological activities as well as their mechanisms of action.

Химический состав эфирных масел кумквата (Citrus fortunella) и мутантов

Kumquat, known as the little jewel of the citrus family, is a fruit of the plant Citrus japonica Thunb. or Fortunella japonica Swingle. Kumquat is widely grown for its fruit, but such parts of the plant as leaves and bark are left as waste without being utilized. Therefore, we aimed to determine the chemical composition of essential oils from kumquat fruit and leaves (main species and 6 mutants) grown at the Mersin Alata Horticultural Research Institute. The fruits and leaves of Citrus fortunella trees were collected and their essential oils were obtained by hydrodistillation. Gas chromatography-mass spectrometry (GC-MS) was performed to analyze the components of the essential oils. Among the essential oil components determined by GC-MS analysis, limonene (69.9–94.4%) was detected at the highest levels in the fruit essential oil, while the leaf essential oil was rich in elemol (13.2–14.8%), ß-eudesmol (9.3–11.0%), α-guaiol (8.5–10.8%), spathulenol (8.1–10.5%), and alismol (6.5–7.9%). Our results showed that essential oil can be produced as a by-product from the leaves and fruits of C. fortunella trees. Kumquat fruit and leaf essential oils contain large amounts of chemical components with potential biological activity, both major and minor. Therefore, they can be used as an herbal resource in different industrial fields such as medicine, perfumery, and cosmetics.

An efficient synthesis of novel quinolone-thiazolo[3,2-a] pyrimidine hybrid via a facile one-pot, a three-component reaction catalyzed by L-proline as an organo-catalyst

Recent studies have highlighted the potential of quinolone hybrids as molecules with promising biological activities. A series of novel thiazolo[3,2-a]pyrimidine-quinolone hybrids derivatives has been synthesized through the three-component reactions of 4-hydroxybenzo[h]quinolin-2(1H)-one, diverse aldehydes, and thiazolo[3,2-a]pyrimidine compound in the presence of a catalytic amount of L-proline under reflux conditions in EtOH. The products’ structure was identified and verified using their 1H NMR, FT-IR, 13C NMR spectra, elemental analysis, and mass spectrometry data. This Multicomponent domino reaction proceeds smoothly and offers several benefits: operational simplicity, short reaction time, no column chromatography, high atom economy, metal-free reaction conditions, and green media, resulting in good to high yields. The potential biological activities of products can be evaluated in future studies.

Whey Protein Enzymatic Breakdown: Synthesis, Analysis, and Discovery of New Biologically Active Peptides in Papain-Derived Hydrolysates

Bioactive peptides derived from milk proteins offer promising potential that can be unlocked through hydrolysis. Enzymatic hydrolysis is particularly noteworthy because of its mild conditions and its efficacy in producing peptides with various biological activities. This study focused on creating whey protein hydrolysates using three enzymes: pepsin, trypsin, and papain. The degree of hydrolysis and the antioxidant properties of the resulting peptides were evaluated, and papain demonstrated the highest degree of hydrolysis, leading to its selection for further investigation. LC-MS was employed to identify peptide sequences from the papain-derived hydrolysate, resulting in the identification of 107 distinct peptide sequences These peptides were predicted to exhibit a range of potential biological activities, including antihypertensive, antidiabetic, antioxidant, antimicrobial, and immunomodulatory effects, as well as roles in regulating glucose homeostasis, maintaining cardiovascular health, and supporting overall metabolic function. In vitro tests revealed the significant antioxidant and antibacterial properties of the hydrolysate, confirming the potential of papain-derived peptides for use in functional food and pharmaceutical applications. The novelty of this study lies in the identification of novel peptides with promising biological activities. Additional in vitro and in vivo studies are required to fully elucidate the health benefits of these peptides.

Comparative Analysis of Essential Oils and Hydrolates from Aniseed, Coriander, and Fennel Fruits.

This study provides a comprehensive analysis of the volatile compounds from the fruits of aniseed (Pimpinella anisum), coriander (Coriandrum sativum), and fennel (Foeniculum vulgare). Essential oils (EOs) and hydrolates (HYs) were extracted via steam distillation under industrial conditions and analysed using GC-MS. Sixty-five components, primarily oxygenated monoterpenes, were identified, highlighting trans-anethole, linalool, and fenchone as major constituents in the respective essential oils. Comparative analysis revealed significant differences between the EOs and HYs, with the latter exhibiting distinctive compositions, such as higher proportions of p-anisaldehyde in aniseed and fenchone in fennel. The sensory evaluation identified unique odour profiles, including herbal, citrus, spicy, and floral notes, which align with their chemical compositions. These findings underline the aromatic and potential biological activities of both EOs and HYs, offering insights into their applications in the food, fragrance, and therapeutic industries.

Synthesis of new biologically active compounds based on α - santonin

3-Keto-6,11β,7α(H)-eudesm-1(2),4(5)-dien-6,12-olide is a sesquiterpene γ-lactone of the eudesmane structural type, known as α-santonin, isolated from more than 20 species of the genus Artemisia L. and is a renewable chemical material for the synthesis of new biologically active compounds. The goal of the work is the synthesis of new compounds based on α-santonin with potential biological activity for the development of medicinal substances. Methods. Hydrogenation, halogenation, oximation, aminolysis, Michael, and O-alkyl- and alkenyl-substituted oxime santonin derivatives were synthesised on the basis of the polyfunctional molecule 3-keto-6,11β,7α(H)-eudesm-1(2),4(5)-diene-6,12-olide. The antimicrobial and fungicidal activities of the samples of compounds were studied on 16 bacterial and fungal strains. Antitumour activity of the samples of compounds was studied on white mongrel rats on 6 transplantable tumour strains. Results. 21 new compounds were synthesized, the structure of which was established on the basis of physicochemical constants, spectral data (IR, UV, 1H-, 13C NMR spectroscopy), as well as X-ray diffraction analysis. The antimicrobial, fungicidal and antitumor activities of α-santonin and its derivatives have been studied. Promising compounds for the development of new medicinal substances have been identified. Conclusion. The reactions of regioselective nucleophilic additions of amines and alcohols to the eudesmanolide α-santonin were studied for the first time. Methods for the targeted synthesis of new hydrochloride and acetate salts of santoninamine have been developed. The relationship between the structure of the synthesized molecules and their biological activity was revealed. The results of molecular docking of the new synthesized compounds indicate their interaction with biological targets: DNA topoisomerases -I and -II, as well as SARS-CoV-2.

Hydroxylation and Biological Activity Evaluation of Isosteviol C-12 by P450 BM3.

Isosteviol, a naturally occurring tetracyclic triterpenoid, is a versatile compound with various biological activities. Activation of the inert C-H bonds of isosteviol can increase its potential biological activity, but this C-H activation remains challenging in traditional organic synthesis. Cytochrome P450 BM3 is typically used as a tool enzyme to accomplish this goal. In this study, we used compound similarity analysis, molecular docking and site-specific mutation to successfully achieve P450 BM3 catalytic hydroxylation of isosteviol to 12β-OH isosteviol. Compared to isosteviol, 12B-Oh-isosteviol has enhanced anti-cancer and anti-inflammatory properties. Site-Directed Mutagenesis was performed on eight potential key amino acid mutation sites of the BM3 variant, and the best mutant M05 (F87A/A330W/A82G) in the constructed small library increased the conversion rate of the isosteviol from 59% to 66%.

Directed Evolution of a Macrolide-Sensing Transcription Factor Biosensor for the Detection of Macrolactone Aglycones via "Effector Walking" and Efflux Pump Deletion.

Glycosylated macrolactones (macrolides) often display broad and potent biological activities and are targets for drug development and discovery. The modular genetic organization of macrolide polyketide synthases (PKSs) and various polyketide tailoring enzymes has inspired the combinatorial biosynthesis of new-to-nature macrolides. However, most engineered PKS and macrolide biosynthetic pathways are ineffective and produce reduced or negligible product titers. Directed evolution could improve the activity of engineered PKSs and associated pathways but critically requires a high-throughput screen to identify active variants from large libraries. Transcription factor-based biosensors can be used for this purpose. However, the effector specificity of the only known macrolide-sensing transcription factor MphR is limited to macrolides modified with the sugar, desosamine. The potential applications of MphR are subsequently limited, ruling out the possibility of leveraging MphR to screen libraries of pathway variants that make macrolactones that lack sugars (i.e., macrolide aglycones) such as the direct products of PKSs. In this study, we aimed to engineer the effector specificity of the MphR biosensor strain for detecting macrolide aglycones. By developing an "effector walking" strategy coupled with efflux pump deletion, the effector profile of MphR was dramatically broadened to include several erythronolide macrolactones. This work sets the stage for applying directed evolution and other high-throughput screening approaches to various PKSs. Our results suggest a broadly applicable approach to developing biosensors that detect ligands that are very different in structure from the native effector.

Mining of Novel Myrosinase with High Activity Based on Sequence and Structure Clustering for Efficient Preparation of Sulforaphane.

Sulforaphane has garnered significant research attention owing to its potent and promising biological activities. Mining the highly active myrosinase is the key to preparing sulforaphane. In this study, a novel myrosinase, designated Semyr, was identified from Serratia plymuthica through sequence and structural clustering analysis. The enzyme was heterologously expressed in Escherichia coli, demonstrating a sinigrin hydrolysis activity of 110.48 U/mg, which constitutes the highest recombinant myrosinase activity reported to date. A reaction system was established to prepare sulforaphane. 60 U of myrosinase was added to 5 mL of substrate, yielding 15.39 mg of sulforaphane per gram of broccoli seeds after 20 min at 40 °C and pH 6.0, with a conversion rate of 96.50%. Concurrently, the highest productivity of 5.55 μmol/g·min for sulforaphane was achieved after 15 min. Thus, Semyr serves as a valuable biocatalytic tool for the efficient preparation of sulforaphane.