Calcium silicate cements endowing bioactivity and sustaining mechanical strength of low-heat-releasing and fast-curing magnesium phosphate cements.

It is known that magnesium phosphate cements (MPCs) show appreciable mechanical strength and biocompatibility, but the hydration reaction processes often lead to intense heat release while the hydration products present weak resistance to mechanical decay and low bioactivity. Herein we developed an MPC-based system, which was low-heat-releasing and fast-curing in this study, by compounding with self-curing calcium silicate cements (CSCs). The MPC composed of magnesium oxide (MgO), potassium dihydrogen phosphate (KH2PO4), disodium hydrogen phosphate (Na2HPO4), magnesium hydrogen phosphate trihydrate (MgHPO4·3H2O) and chitosan were weakly basic, which would be more stable in vivo. The physicochemical properties indicated that the addition of CSCs could increase the final setting time while decrease the heat release. Meanwhile, the CSCs could endow MPC substrate with apatite re-mineralization reactivity, especially, which add 25 wt.% CSCs showed the most significant apatite deposition. What's more, the mechanical evolution in buffer demonstrated CSCs could enhance and sustain the mechanical strength during degradation, and the internal constructs of cement implants could still be reconstructed by µCT analysis in rabbit femoral bone defect model in vivo. Particularly, appropriate CSCs adjusted the biodegradation and promoted new bone tissue regeneration in vivo. Totally, the MPC/CSCs composite system endows bioactivity and sustains mechanical strength of the MPC, which may be promising for expending the clinical applications of MPC-based bone cements.

Fermentation of Pyropia spp. seaweed: a comprehensive review on processing conditions, biological activities and potential applications in the food industry.

Pyropia spp. seaweeds are delicious and nutritious red algae widely consumed for a long history. However, due to the non-digestibility of cell wall components by the human intestinal tract, the bioaccessibility of the intracellular bioactive compounds is low. The current industrial processing of Pyropia spp. food by drying and roasting cannot break down the cell wall; however, studies indicate that fermentation of Pyropia spp. by food-derived microorganisms is an efficient processing method to solve this problem. This paper reviews research on the fermentation of Pyropia spp., including the manufacturing process, alterations in chemical composition, flavor properties, bioactivities, and mechanisms. Furthermore, the limitations and opportunities for developing Pyropia spp. fermentation food are explored. Studies demonstrated that key metabolites of fermented Pyropia spp. were degraded polysaccharides, released phenolic compounds and flavonoids, and formed amino acids, which possessed bioactivities such as antioxidant, anti-glycation, anti-diabetic, lipid metabolism regulation beneficial to human health. The increased bioactivities implied the promoted bioaccessibility of intracellular components. Notably, fermentation positively contributed to the safety of Pyropia spp. food. In conclusion, benefits in nutrition, flavor, bioactivity, and safety suggest that fermentation technology has a promising future for application in Pyropia spp. food industry.

GC-MS analysis and nutra-pharmaceutical potential of Mentha piperita essential oil extracted by supercritical fluid extraction and hydro-distillation.

This study reports the comparative evaluation of yield, physico-chemical composition and biological attributes (antioxidant activity, antimicrobial activity, biofilm inhibition and hemolytic activity) of peppermint (Mentha piperita L.) essential oil (EO) obtained by hydro-distillation (HD) and supercritical fluid (CO2) extraction (SCFE) methods. The yield (%) of EO obtained by HD (0.20 %) was significantly (p < 0.05) higher than that of SCFE (0.13 %) while the variation in the physical parameters like solubility, color, density (at 25 °C) and refractive index (at 25 °C) was not significant between the tested oils. The data of chemical compositional analysis revealed that menthol was the key component in the EO obtained by HD (52.85 %) and SCFE (45.51 %), followed by menthone [HD (25.93 %) and SCFE (27.3 %)] and eucalyptol [HD (8.59 %); SCFE (8.92 %)]. The EO extracted with supercritical fluid (SCFE-EO) exhibited superior (p < 0.05) DPPH free radical inhibition potential (52 %) with an IC50 value of 15.65 µg/mL and reducing power compared to that of HD-EO. The highest antimicrobial activity was exhibited by SCFE-EO against Pasturella multocida with an inhibition zone of 18.00 mm (MIC value of 86 µg/mL). The results of biofilm inhibition and hemolytic activity revealed that the SCFE method was superior to recover high quality EO in comparison to the HD method. The peppermint EO obtained by SCFE, owing to potent bioactive components, can be a potential candidate to develop nutra-pharmaceuticals.

Silica 3D printed scaffolds as pH stimuli-responsive drug release platform.

Silica-based scaffolds are promising in Tissue Engineering by enabling personalized scaffolds, boosting exceptional bioactivity and osteogenic characteristics. Moreover, silica materials are highly tunable, allowing for controlled drug release to enhance tissue regeneration. In this study, we developed a 3D printable silica material with controlled mesoporosity, achieved through the sol-gel reaction of tetraethyl orthosilicate (TEOS) at mild temperatures with the addition of different calcium concentrations. The resultant silica inks exhibited high printability and shape fidelity, while maintaining bioactivity and biocompatibility. Notably, the increased mesopore size enhanced the incorporation and release of large molecules, using cytochrome C as a drug model. Due to the varying surface charge of silica depending on the pH, a pH-dependent control release was obtained between pH 2.5 and 7.5, with maximum release in acidic conditions. Therefore, silica with controlled mesoporosity could be 3D printed, acting as a pH stimuli responsive platform with therapeutic potential.

Unraveling the molecular basis for effective regulation of integrin α5ß1 for enhanced therapeutic interventions.

Cell attachment to the extracellular matrix significantly impacts the integrity of tissues and human health. The integrin α5ß1 is a heterodimer of α5 and ß1 subunits and has been identified as a crucial modulator in several human carcinomas. Integrin α5ß1 significantly regulates cell proliferation, angiogenesis, inflammation, tumor metastasis, and invasion. This regulatory role of integrin α5ß1 in tumor metastasis makes it an appealing target for cancer therapy. The majority of the drugs targeting integrin α5ß1 are limited only to clinical trials. In our study, we have performed 94287 compounds screening to determine potential drugs against α5ß1 integrin. We have used ATN-161 as a reference and employed combined bioinformatic methodologies, including molecular modelling, virtual screening, MM-GBSA, cell-line cytotoxicity prediction, ADMET, Density Functional Theory (DFT), Non-covalent Interactions (NCI) and molecular simulation, to identify putative integrin α5ß1 inhibitors. We found Taxifolin, PD133053, and Acebutolol that possess inhibitory activity against α5ß1 integrin and could act as effective drug for the cancer treatment. Taxifolin, PD133053, and Acebutolol exhibited excellent binding to the druggable pocket of integrin α5ß1, and also maintained a unique binding mechanism with extra hydrophobic contacts at molecular level. Overall, our study gives new pharmacological candidates that may act as a potential drug against integrin α5ß1.

Active learning approaches in molecule pKi prediction.

During the early stages of drug design, identifying compounds with suitable bioactivities is crucial. Given the vast array of potential drug databases, it's feasible to assay only a limited subset of candidates. The optimal method for selecting the candidates, aiming to minimize the overall number of assays, involves an active learning (AL) approach. In this work, we benchmarked a range of AL strategies with two main objectives: (1) to identify a strategy that ensures high model performance and (2) to select molecules with desired properties using minimal assays. To evaluate the different AL strategies, we employed the simulated AL workflow based on "virtual" experiments. These experiments leveraged ChEMBL datasets, which come with known biological activity values for the molecules. Furthermore, for classification tasks, we proposed the hybrid selection strategy that unified both exploration and exploitation AL strategies into a single acquisition function, defined by parameters n and c. We have also shown that popular minimal margin and maximal variance selection approaches for exploration selection correspond to minimization of the hybrid acquisition function with n=1 and 2 respectively. The balance between the exploration and exploitation strategies can be adjusted using a coefficient (c), making the optimal strategy selection straightforward. The primary strength of the hybrid selection method lies in its adaptability; it offers the flexibility to adjust the criteria for molecule selection based on the specific task by modifying the value of the contribution coefficient. Our analysis revealed that, in regression tasks, AL strategies didn't succeed at ensuring high model performance, however, they were successful in selecting molecules with desired properties using minimal number of tests. In analogous experiments in classification tasks, exploration strategy and the hybrid selection function with a constant c<1 (for n=1) and c≤0.2 (for n=2) were effective in achieving the goal of constructing a high-performance predictive model using minimal data. When searching for molecules with desired properties, exploitation, and the hybrid function with c≥1 (n=1) and c≥0.7 (n=2) demonstrated efficiency identifying molecules in fewer iterations compared to random selection method. Notably, when the hybrid function was set to an intermediate coefficient value (c=0.7), it successfully addressed both tasks simultaneously.

Comprehensive Nutritional and Functional Characterization of Novel Mycoprotein Derived from the Bioconversion of Durvillaea spp.

This study aimed, for the first time, to determine the nutritional composition, beta-glucan and ergosterol contents, phenolic compound composition, and biological and functional activities of a novel mycoprotein produced through a bioconversion process of Durvillaea spp., a brown seaweed. An untargeted metabolomics approach was employed to screen metabolites and annotate molecules with nutraceutical properties. Two products, each representing a distinct consortia of co-cultured fungi, named Myco 1 and Myco 2, were analysed in this study. These consortia demonstrated superior properties compared to those of Durvillaea spp., showing significant increases in total protein (~238%), amino acids (~219%), and ß-D-glucans (~112%). The protein contains all essential amino acids, a low fatty acid content, and exhibits high antioxidant activity (21.5-25.5 µmol TE/g). Additionally, Myco 2 exhibited the highest anti-alpha-glucosidase activity (IC50 = 16.5 mg/mL), and Myco 1 exhibited notable anti-lipase activity (IC50 = 10.5 mg/mL). Among the 69 top differentially abundant metabolites screened, 8 nutraceutical compounds were present in relatively high concentrations among the identified mycoproteins. The proteins and polysaccharides in the mycoprotein may play a crucial role in the formation and stabilization of emulsions, identifying it as a potent bioemulsifier. In conclusion, the bioconversion of Durvillaea spp. results in a mycoprotein with high-quality protein, significant nutritional and functional value, and prebiotic and nutraceutical potential due to the production of unique bioactive compounds.

The Mediterranean Species Calendula officinalis and Foeniculum vulgare as Valuable Source of Bioactive Compounds.

Research studies on plant secondary metabolites have increased over the last decades as a consequence of the growing consumer demand for natural products in pharmaceutics and therapeutics, as well as in perfumery and cosmetics. In this perspective, many Mediterranean plant species could be an appreciated source of bioactive compounds with pharmacological and health-promoting properties, including antioxidant, antimicrobial, antiviral, anti-inflammatory, and antitumor ones. Calendula officinalis and Foeniculum vulgare are commercially important plants of the Mediterranean flora, with great therapeutic use in the treatment of many disorders since ancient times, and are now listed in several world pharmacopoeias and drug agencies. The present review offers an overview of the main phytochemicals, phenols, terpenes, and alkaloids, biosynthesized in C. officinalis and F. vulgare, both species endemic to the Mediterranean region. Further, all current knowledge and scientific data on taxonomic classification, botanical description, traditional uses, pharmacological studies, and potential toxicity of both species were reported. The principal aim of this review is to point out the prospective use of C. officinalis and F. vulgare as valuable reservoirs of beneficial plant-derived products with interesting biological properties, also providing suggestions and future challenges for the full exploitation of these two Mediterranean species for human life improvement.

The Impact of Cyclodextrins on the Physiology of Candida boidinii: Exploring New Opportunities in the Cyclodextrin Application.

Cyclodextrins, commonly used as excipients in antifungal formulations to improve the physicochemical properties and availability of the host molecules, have not been systematically studied for their effects and bioactivity without a complex active substance. This paper evaluates the effects of various cyclodextrins on the physiology of the test organism Candida boidinii. The research examines their impact on yeast growth, viability, biofilm formation and morphological changes. Native ACD, BCD, randomly methylated α- and ß-CD and quaternary ammonium α-CD and ß-CD were investigated in the 0.5-12.5 mM concentration range in both static and dynamic systems. The study revealed that certain cyclodextrins exhibited notable antifungal effects (up to ~69%) in dynamic systems; however, the biofilm formation was enhanced in static systems. The magnitude of these effects was influenced by several variables, including the size of the internal cavity, the concentration and structure of the cyclodextrins, and the contact time. Furthermore, the study found that CDs exhibited distinct effects in both static and dynamic systems, potentially related to their tendency to form aggregates. The findings suggest that cyclodextrins may have the potential to act as antifungal agents or growth promoters, depending on their structure and surrounding environments.

Efficient AAV9 Purification Using a Single-Step AAV9 Magnetic Affinity Beads Isolation.

Adeno-associated viruses (AAVs) have emerged as promising tools for gene therapy due to their safety and efficacy in delivering therapeutic genes or gene editing sequences to various tissues and organs. AAV serotype 9 (AAV9), among AAV serotypes, stands out for its ability to efficiently target multiple tissues, thus holding significant potential for clinical applications. However, existing methods for purifying AAVs are cumbersome, expensive, and often yield inconsistent results. In this study, we explore a novel purification strategy utilizing Dynabeads™ CaptureSelect™ magnetic beads. The AAV9 magnetic beads capture AAV9 with high specificity and recovery between 70 and 90%, whereas the AAVX magnetic beads did not bind to the AAV9. Through continuous interaction with AAVs in solution, these beads offer enhanced clearance of genomic DNA and plasmids even in the absence of endonuclease. The beads could be regenerated at least eight times, and the used beads could be stored for up to six months and reused without a significant reduction in recovery. The potency of the AAV9-purified vectors in vivo was comparable to that of iodixanol purified vectors.

Laminin 332 functionalized surface improve implant roughness and oral keratinocyte bioactivity.

Objective: The biological seal (BS) at the implant-tissue interface is essential for the success of dental implants (DIs), and the absence of a proper BS can lead to peri-implantitis. The basement membrane (BM) and junctional epithelium are critical for sealing the peri-implant mucosa, and laminin 332 is an important protein in binding the epithelium to the implant surface. The aim of this study was to evaluate the response of oral keratinocytes to titanium dental implant surfaces biofunctionalized with laminin 332. Design: The dental implant surface was treated with a piranha solution to create hydroxyl (OH) groups, facilitating biofunctionalization with laminin 332. The modified surface underwent scanning electron microscopy, surface roughness evaluation, and chemical composition analysis. Human keratinocytes from the Cal-27 line were then cultured on the modified implants for 24 and 48 h to assess viability, morphology, cytokine secretion, and mRNA expression of tissue repair-associated genes. Results: The results showed that laminin 332 biofunctionalization of the implant surface resulted in lower values of Ra, Rq and positive surface roughness parameters Rsk, Rku and Rv. The elemental composition showed an increase in nitrogen and carbon content corresponding to protein binding. The biofunctionalized surfaces did not affect cell viability and promoted cytokine secretion (IL-1a and IL-8) and a significant increase (p < 0.05) in MCP-1, EGF, FGF, TGF and VEGF gene expression compared to the control. Conclusion: In conclusion, laminin 332 coating Ti implants was shown to be effective in promoting keratinocyte adhesion, spreading, and viability. This approach could be an alternative way to improve biocompatibility.

Exploring the potential of chitosan from royal shrimp waste for elaboration of chitosan/bioglass biocomposite: Characterization and "in vitro" bioactivity.

Exploiting royal shrimp waste to produce value-added biocomposites offers environmental and therapeutic benefits. This study proposes biocomposites based on chitosan and bioglass, using shrimp waste as the chitosan source. Chitin extraction and chitosan preparation were characterized using various analytical techniques. The waste composition revealed 24 % chitin, convertible to chitosan, with shells containing 77.33-ppm calcium. (X-ray diffraction) XRD analysis showed crystallinity index of 54.71 % for chitin and 49.14 % for chitosan. Thermal analysis indicated degradation rates of 326 °C and 322 °C, respectively. The degree of deacetylation of chitosan was 97.08 % determined by proton nuclear magnetic resonance (1H-NMR) analysis, with an intrinsic viscosity of 498 mL.g-1 and molar mass of 101,720 g/mol, showing improved solubility in 0.3 % acetic acid. Royal chitosan (CHR) was combined with bioglass (BG) via freeze-drying to create a CHR/BG biocomposite for bone surgery applications. The bioactivity of the CHR/BG was tested in simulated body fluid (SBF), revealing a biologically active apatite layer on its surface. Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES) analysis confirmed enhanced bioactivity of the CHR/BG compared to commercial chitosan. The CHR/BG biocomposite demonstrated excellent apatite formation, validated by Scanning Electron Microscopy (SEM), highlighting its potential in bone surgery.

Comparison of nanovesicles derived from Panax notoginseng at different size: physical properties, composition, and bioactivity.

Aim: Plant-derived nanovesicles have emerged as potential agents for combating tumors. In this study, we investigated the inhibitory effects of Panax notoginseng-derived nanovesicles (PnNVs) on the proliferation and migration of squamous cell carcinoma. Additionally, we explored the relationship between plant tuber size and the physical properties, composition and bioactivity of these nanovesicles. Methods: We isolated PnNVs from Panax notoginseng tubers of varying sizes: small-sized (s_PnNVs), medium-sized (m_PnNVs) and large-sized (l_PnNVs), and evaluated for size, potential, and morphology. Cellular uptake efficiency was assessed using confocal microscopy and flow cytometry. The ability of different PnNVs to inhibit oral squamous cell carcinoma cells was evaluated using plate cloning, CCK8 assay, and scratch healing assay. Off-target metabolomics was used to compare metabolic compounds of different PnNVs. Results: Our findings revealed that s_PnNVs exhibited lower potential but had the highest cellular uptake efficiency, whereas m_PnNVs were characterized by the smallest size and lowest cellular uptake efficiency. Notably, m_PnNVs demonstrated the most effective inhibition of squamous cell carcinoma growth and migration. Compositional analyses showed that PnNVs were rich in proteins and contained lower levels of RNA, with l_PnNVs having the highest protein content. Furthermore, untargeted metabolomics analysis revealed a significant increase in the expression of specific antitumour-related metabolites in m_PnNVs compared to s_PnNVs and l_PnNVs. Conclusion: Overall, our results underscore the influence of plant tuber size on the bioactivity of the nanovesicles from which they are derived, emphasizing its importance for experimental design and study reproducibility.

Synthesis and In vitro evaluation of bichalcones as novel anti-toxoplasma agents.

Toxoplasmosis is a zoonotic disease caused by Toxoplasma gondii, an apicomplexan parasite that infects approximately a third of the world's human population. This disease can cause serious complications during pregnancy and can be fatal in immunocompromised hosts. The current treatment options for toxoplasmosis face several limitations. Thus, to address the urgent medical need for the discovery of novel anti-toxoplasma potential drug candidates, our research focused on exploring a series of monomeric and dimeric chalcones, polyphenolic molecules belonging to the class of flavonoids. Chalcones 1aa-1bg and axially chiral A-A'-connected bichalcones 2aa-2bg were evaluated in vitro against the proliferation of the parasite in a cell-based assay. A comparison of the efficacy demonstrated that, in several cases, bichalcones exhibited increased bioactivity compared to their corresponding monomeric counterparts. Among these compounds, a bichalcone with a phenyl substituent and a methyl moiety 2ab showed the most potent and selective inhibitory activity in the nanomolar range. Both enantiomers of this bichalcone were synthesized using an axially chiral biphenol building block. The biaryl bond was forged using Suzuki cross-coupling in water under micellar catalysis conditions. Separation of the atropisomers of this biphenol building block was conducted by chiral HPLC on a preparative scale. The biological evaluation of the enantiomers revealed that the (R a)-enantiomer (R a)-2ab is the eutomer. These studies suggest that bichalcones may be important drug candidates for further in vivo evaluations for the discovery of anti-toxoplasma drugs.

Impact of heat and high-moisture pH treatments on starch digestibility, phenolic composition, and cell bioactivity in sorghum (Sorghum bicolor L. Moench) flour.

Sorghum (Sorghum bicolor L. Moench), characterized by substantial genetic diversity, encompasses some lines rich in health-promoting polyphenols. Laboratory studies have demonstrated anticancer properties of sorghum phenolics; however, their presence may impact nutritional factors, such as digestible starch. The objective of this study was to determine the effects of pH and high-moisture heating on starch digestibility, phenolic profile, and anticancer activity in sorghum. High Phenolic sorghum flour line SC84 was combined with buffer solutions (pH 3, 4, 5, 7, and 8) and heated for 0, 10, 30, 60, or 120 min. Starch digestibility was assessed using the K-DSTRS kit from Megazyme. Changes in phenolic composition were analyzed using total phenolic content (TPC) and condensed tannin content (CTC) assays coupled with reversed phase high performance liquid chromatography (RP-HPLC) analysis. Anticancer potential against human colorectal cancer cells (HCT116 and SW480) was determined though cell viability assay. Results indicated a significant increase in total starch digestibility of sample after heating. Heating samples for 10 min did not significantly reduce TPC of samples. However, CTC was significantly reduced with heating time, while pH exhibited no significant effect on CTC. The measured 3-deoxyanthocyanidins experienced a significant decrease (p < 0.0001), while certain flavonoids increased significantly (p < 0.05) after heating for 30 min or longer. Notably, the 10 min heating duration minimally affected anticancer activity, whereas longer heat times diminished extract efficacy against human colorectal cancer cells. Alkaline pH levels significantly decreased anticancer activity, regardless of heating time. Importantly, heating sorghum for 10 min improved starch digestibility with minimal compromise to potential health benefits. These findings suggest promising implications for the development of high-phenolic sorghum products, and provide valuable insights to guide forthcoming animal and clinical studies. The demonstrated impact of wet-heating on increased starch digestibility, coupled with the preservation of phenolic content and bioactivity, underscores the potential of incorporating high-phenolic sorghum lines in future functional food formulations.

Comparative evaluation of bioactivity of MTA plus and MTA plus chitosan conjugate in phosphate buffer saline an invitro study.

Background and Objective: Various materials like MTA, Biodentine etc have been used for the regeneration of lost dental tissues. Still, the quest for newer materials to enhance the bioactivity of the existing materials continues. Hence this study aims at the evaluation of bioactivity of MTA Plus when conjugated with Chitosan in phosphate buffer saline. Methodology: Materials used were MTA Plus (Group 1), MTA Plus and chitosan conjugate(Group 2). The materials were mixed and placed in phosphate buffer saline. Bioactivity of Group 1 and Group 2 materials were assessed at 7 days and 28 day's time intervals using SEM-EDX analysis. Results: SEM analysis of group 1 revealed a compact and agglomerate lath-like appearance with uniform particle size. SEM analysis of group 2 reveals acicular and lath-like appearance of the precipitate on the material surface. EDX analysis of the freshly prepared materials gave the qualitative semiquantitative elemental composition on the material surfaces after immersion in PBS for 7 and 28 days. Conclusion: MTA Plus Chitosan conjugate had greater potential to form apatite crystals on its surface. Hence, Chitosan can be used as a vehicle for the currently available materials to enhance the bioactivity and fasten the healing process.

Anti-Agrobacterium tumefactions sesquiterpene derivatives from the marine-derived fungus Trichoderma effusum.

Agrobacterium tumefaciens can harm various fruit trees, leading to significant economic losses in agricultural production. It is urgent to develop new pesticides to effectively treat this bacterial disease. In this study, four new sesquiterpene derivatives, trichoderenes A-D (1-4), along with six known compounds (5-10), were obtained from the marine-derived fungus Trichoderma effusum. The structures of 1-4 were elucidated by extensive spectroscopic analyses, and the calculated ECD, ORD, and NMR methods. Structurally, the hydrogen bond formed between the 1-OH group and the methoxy group enabled 1 to adopt a structure resembling that of resorcylic acid lactones, thereby producing the ECD cotton effect. Compound 3 represents the first example of C12 nor-sesquiterpene skeleton. Compounds 1-10 were tested for their antimicrobial activity against A. tumefactions. Among them, compounds 1-3 and 8-10 exhibited inhibitory activity against A. tumefactions with MIC values of 3.1, 12.5, 12.5, 6.2, 25.0, and 12.5 µg/mL, respectively.

Metabolic profiling of different parts of Physalis alkekengi L. var. franchetii (Mast.) Makino based on UPLC-Q-Orbitrap-HRMS coupled with bioactivity assays.

Physalis alkekengi L.var. franchetii (Mast.) Makino (PAF) is an important edible and medicinal plant resource in China. Historically, phytochemical studies have primarily examined the calyx and fruit due to their long-standing use in traditional Chinese medicine for their ability to clear heat and detoxify. Metabolites and bioactivities of other parts such as the leaves, stems and roots, are rarely studied. The study involved conducting metabolic profiling of five plant parts of PAF using UPLC-Q-Orbitrap-HRMS analysis, in conjunction with two bioactivity assays. A total of 95 compounds were identified, including physalins, flavonoids, sucrose esters, phenylpropanoids, nitrogenous compounds and fatty acids. Notably, 14 aliphatic sucrose esters, which are potentially novel compounds, were initially identified. Furthermore, one new aliphatic sucrose ester was purified and its structure was elucidated by 1D and 2D NMR analysis. The hierarchical clustering analysis and principal component analysis showed the close clustering of the root and stem, suggesting similarities in their chemical composition, whereas the leaf, calyx and fruit clustered more distantly. Orthogonal partial least-squares discriminant analysis results showed that 41 compounds potentially serve as marker compounds for distinguishing among plant parts. Variations in activity were observed among the plant parts during the comparative evaluation with biological assays. The calyx, leaf and fruit extracts showed stronger antibacterial and anti-inflammatory activities than the stem and root extracts, and 19 potential biomarkers were identified by S-plot analysis for the observed activities, including chlorogenic acid, luteolin, cynaroside, physalin A, physalin F, physalin J, apigetrin, quercetin-3ß-D-glucoside and five ASEs, which likely explain the observed potent bioactivity.

Microbial transformation of some phytochemicals into value-added products: A review.

Phytochemicals, plant-derived compounds, are the major components of traditional medicinal plants. Some phytochemicals have restricted applications, due to low bioavailability and less efficacy. However, their medicinal properties can be enhanced by converting them into value-added products for different bioactivities like anti-oxidant, neuroprotective, anti-obesity, anti-neuroinflammatory, anti-microbial, anti-cancer and anti-inflammatory. Microbial transformation is one such process that is generally more specific and makes it possible to modify a compound without making any unwanted alterations in the molecule. This has led to the efficient production of value-added products with important pharmacological properties and the discovery of new active compounds. The present review assimilates the existing knowledge of the microbial transformation of some phytochemicals like eugenol, curcumin, ursolic acid, cinnamaldehyde, piperine, ß-carotene, ß-sitosterol, and quercetin to value-added products for their application in food, fragrances, and pharmaceutical industries.

Deciphering the Anticancer Arsenal of Piper longum: Network Pharmacology and Molecular Docking Unveil Phytochemical Targets Against Lung Cancer.

Introduction: Lung cancer, characterized by uncontrolled cellular proliferation within the lung tissues, is the predominant cause of cancer-related fatalities worldwide. The traditional medicinal herb Piper longum has emerged as a significant contender in oncological research because of its documented anticancer attributes, suggesting its potential for novel therapeutic development. Methods: This study adopted network pharmacology and omics methodology to elucidate the anti-lung cancer potential of P. longum by identifying its bioactive constituents and their corresponding molecular targets. Results: Through a comprehensive literature review and the Integrated Medicinal Plant Phytochemistry and Therapeutics database (IMPPAT), we identified 33 bioactive molecules from P. longum. Subsequent analyses employing tools such as SwissTargetPrediction, SuperPred, and DIGEP-Pred facilitated the isolation of 676 potential targets, among which 72 intersected with 666 lung cancer-associated genetic markers identified through databases including the Therapeutic Target Database (TTD), Online Mendelian Inheritance in Man (OMIM), and GeneCards. Further validation through protein-protein interaction (PPI) networks, gene ontology, pathway analyses, boxplots, and overall survival metrics underscored the therapeutic potential of compounds such as 7-epi-eudesm-4(15)-ene-1ß, demethoxypiplartine, methyl 3,4,5-trimethoxycinnamate, 6-alpha-diol, and aristolodione. Notably, our findings reaffirm the relevance of lung cancer genes, such as CTNNB1, STAT3, HIF1A, HSP90AA1, and ERBB2, integral to various cellular processes and pivotal in cancer genesis and advancement. Molecular docking assessments revealed pronounced affinity between 6-alpha-diol and HIF1A, underscoring their potential as therapeutic agents for lung cancer. Conclusion: This study not only highlights the bioactive compounds of P. longum but also reinforces the molecular underpinnings of its anticancer mechanism, paving the way for future lung cancer therapeutics.