Active Ingredients Research Articles

The mechanism of action of traditional Chinese medicine in the prevention and treatment of influenza

Abstract. Influenza, because of its virus is highly contagious and easy to mutate, has caused many outbreaks around the world. Traditional Chinese medicine (TCM) has been used in China for the prevention and treatment of influenza since ancient times, and now more and more people choose to use TCMs to prevent and treat influenza in their daily life. At present, researchers have also tried to study the mechanism of action of TCMs against influenza virus from multiple angles, but there are still many problems in the existing research that deserve further improvement. This article summarizes the researches on the mechanism of action of various TCMs against influenza virus by researchers at home and abroad in recent years and divides the mechanism of action of TCM against influenza virus, which according to the pathogenic mechanism of influenza virus, into two categories: direct inhibition and indirect inhibition. At the same time, this article found that many TCMs can also reduce the damage caused by viral infections by inhibiting the body's excessive immune response. This article also found that there are still some problems in the current research, such as unclear active ingredients, unclear effective dosage, lack of clinical trials, lack of comparative experiments between Chinese and Western medicines, and lack of research on influenza virus B, etc., which are hoped to be focused on in the future researches.

Stachys italica Mill.: synecology, functional compounds and potential use of an Italian endemic taxon.

The metabolomic of the Italian endemic species Stachys italica was investigated and potential positive metabolites for human's health were detected, quantified and discussed in relation to its synecology. Stachys italica is a species endemic to central-southern Italy, traditionally used for human consumption. The present research reports the results of a phytosociological study of this species in two southern regions of Italy (Apulia and Calabria). The collected plant material was used to make two types of extracts: hot water infusion to evaluate the use of this plant as tea and hydroalcoholic extraction to evaluate the use of it in herbal liqueur preparation. The extracts obtained by the hot water infusion had a values of total polyphenols and antioxidant capacity similar to values found in black tea. The analysis of non-volatiles compounds revealed the presence of biologically active substances like lavandulifolioside, verbascoside, and methoxyflavones. The analysis of volatiles fraction of metabolites demonstrated fifty-three volatiles compounds in the plant aerial part, 19 of which belonging to monoterpenoids, and 17 to the class of sesquiterpenoids. Among them, α-pinene, β-pinene, cis-ocimene, limonene and t-caryophyllene, were the most abundant compounds. The results were compared with already published results and referred to other similar species (such as Sideritis syriaca) which represent herbal mixtures usually collected and used as "mountain tea" in the Balkans and Eastern European countries.

Standardisation of Curcuminoids into More Bioavailable form (CurcuminAura™) and Its Pharmacokinetics

Curcuminoids are naturally occurring phytocompound extracted from the turmeric rhizome Curcuma longa, a member of the ginger (Zingiberaceae) family. Through the development of a trademark product called Bio-Curcumin, this study seeks to increase the bioavailability and absorption of regular marketed curcumin by 95%. This finding has important implications for the academic and scientific community. The pharmacokinetic study of CurcuminAura™ and its innovation of biocurcuminoids is detailed in detail. Innovation of BioCurcuminoids and its Pharmacokinetic Study of CurcuminAura™ with regular curcuminoids is significantly described which is the need of the hour. This enhanced sunflower lecithin is an effective ingredient in the trademark product CurcuminAuraTM, which was created by Bio-Med Ingredients Pvt.Ltd. Its potency in the market can be increased by lecithin's capacity to efficiently encapsulate active substances, improve bioavailability, and increase absorption. Regular curcumin's weak solubility and poor absorption in its free form. Regular Curcumin due to its poor solubility and poor absorption in the free form in the gastrointestinal tract and its rapid biotransformation to inactive metabolites can greatly limit its utility as a health-promoting agent and dietary supplement. Hence to make it more readily available in the body. CurcuminovaTM is developed will enhance the properties of Curcumin making it more potent in the market. The Evaluation of the Comparative Pharmacokinetic Study of CurcuminAuraTM with Marketed Curcumin 95.0% was carried out through pre-clinical investigations in Sprague Dawley Rats via Oral Route which is the aim of this study with two groups in the study design, with four rats of each sex. Oral administration of CurcuminAuraTM and Curcumin 95.0% was administered to rats in the G1 and G3 groups, respectively. A dosage volume of 10 milliliters per kilogram of body weight was maintained for the oral route. After Dosage, under isofluorane,the blood samples were taken from the retroorbital sinuses after the dose was administered under varying periods of anaesthesia. Animals were split up into two sets for each group, and blood samples were taken at 30-, 2-, and 4-hour intervals. Samples were taken for analysis after being kept at -800C. Designed to increase the bioavailability of curcuminoids, CurcuminAuraTM is standardized to 60.9% total curcuminoids by HPLC, as opposed to marked conventional curcumin 95%. This has been confirmed by HPLC analysis. According to comparison studies, CurcuminAuraTM has a bioavailability that is 3.8 times greater than the reference standard. Additionally, in this study it is shown that the maximum absorption happens in the timeline 3 hrs after feeding the drug.

Identification of Active Ingredients in Ginseng Volatile Oil: A Strategy Combining Computer Virtual Screening With Experimental Validation.

Ginseng volatile oil (GVO) is a valuable active ingredient in ginseng (Panax ginseng C. A. Mey.) with high research potential. Drying procedures alter the real composition of the fresh material, for example, the evaporation of compounds with low boiling point. In this study, the composition of volatile oil in fresh ginseng (FG), sun-dried ginseng (SDG), and red ginseng (RD) was systematically analyzed to clarify the dominant components of FG and their potential pharmacological effects, which provides a basis for application and development of FG. GVO was obtained through water vapor distillation and analyzed using GC-MS. Pattern recognition analysis was employed to differentiate components in three processed types of ginseng. Based on this analysis, the active ingredients and key targets were screened. The binding mode and affinity were verified using molecular docking technology. Finally, the anticancer activity of GVO was verified by cell experiments. A total of 53 components were identified in three processed types of ginseng by GC-MS. Among them, 32 differential components were screened by pattern recognition analysis. Ultimately, 6 active ingredients (panaxydol, nerolidyl acetate, falcarinol, cis-β-farnesene, γ-elemene, and β-elemene) and 15 key targets were determined by network pharmacology analysis. Molecular docking results revealed that β-elemene exhibited a higher affinity with EGFR, ESR1, and ERK2. Cell experiments indicated that GVO promotes apoptosis in cancer cells. This research proposed a strategy that integrated "component detection-virtual multitarget screening-active component prediction-experimental verification" to expedite the identification of active ingredients, providing insights for application of FG and the development of functional products.

Exploring the Molecular Basis of Anticancer Activity in Various Moss Species Against Colorectal Cancer Cells

Background: Mushrooms are shown to protect against the side effects of cancer. Therefore, mushrooms with proven anticancer properties and active ingredients are fascinating in the search for new cancer drugs. Objective: In this study, the effects of extracts from Hericium coralloides (M1), Lactarius deliciosus (M2), Lepista nuda (M3), Pleurotus ostreatus (M4), and Suillus collitinus (M5) together on HCT116 were investigated. Mesenchymal stem cells (MSCs) were used to study the effect on healthy cells. Methods: MTT was used to determine cell viability. Dose-response curves were generated, the IC50 values of the compounds were calculated, and the effect of the extracts was compared using it. The FTIR was used to analyze the quantitative changes of the cellular components. Results and Discussion: The evaluation of the IC50 values of all fungal species showed that they reduced the cell viability of HCT116 cells. In contrast, no significant reduction in cell viability was observed in MSCs. Changes in the ratio of cell membrane lipids, proteins, and cell nucleic acids between control and fungal-treated HCT116 cells were detected by FTIR. Many of the chemotherapeutic agents are of plant origin, and many resources should still be explored to inhibit the side effects of cancer therapy. Conclusion: The data obtained through this experiment will serve as a reference for studies to be a new source of anticancer drugs in modern pharmacology.

Weighted Gene Co-Expression Network Based on Transcriptomics: Unravelling the Differentiation Dynamics of 3T3-L1 Preadipocytes and the Regulatory Mechanism of Protopanaxatriol.

The intricate regulatory mechanisms governing adipocyte differentiation are pivotal in elucidating the complex pathophysiology underlying obesity. This study aims to explore the dynamic changes in gene expression during the differentiation of 3T3-L1 adipocytes using transcriptomics methods. Protopanaxatriol (PPT) significantly inhibited adipocyte differentiation. To uncover the molecular mechanisms, we conducted an extensive transcriptomic analysis of adipocytes throughout various differentiation stages, comparing gene expression profiles before and after PPT treatment. The construction of 16 co-expression modules was achieved using weighted gene co-expression network analysis (WGCNA). The 838 differentially expressed genes in the blue module were highly correlated with PPT treatment. Further analysis revealed that PIKfyve, STAT3, JAK1, CTTN, TYK2, JAK3, STAT2, STAT5b, SOCS3, and IRF9 were core genes closely associated with adipocyte differentiation. This discovery underscores the potential pivotal function of these ten genes in regulating adipocyte differentiation. This study elucidated that PPT, an active ingredient in ginseng, could reduce lipid accumulation by inhibiting the differentiation of adipocyte precursors through the negative regulation of genes such as PIKfyve, STAT3, and JAK1. Finally, molecular docking identified potential binding sites for PPT on PIKfyve and JAK1. This study provides potential drug targets for preventing obesity and related metabolic diseases.

Screening Inhibitors of α-Amylase in Polygala Radix Based on an Online Targeted Detection System and Molecular Docking.

Targeted screening of inhibitors of key enzymes in the progression of diabetes from natural products is one of the effective methods for the treatment of diabetes. Polygala has been proved to reduce glucose levels; however, the bioactive compounds in Polygalae Radix (PR) that have anti-diabetic properties are unknown. The purpose of this study was to explore the material basis of the anti-diabetic effect of PR by inhibiting α-amylase through an online detection system and molecular docking. An online analysis platform was established and optimized for the screening of potent enzyme inhibitors from complex mixtures based on ultra-performance liquid chromatography-photodiode array-quadrupole-time-of-flight-mass spectrometry-α-amylase-fluorescence detector (UHPLC-PDA-Q-TOF-MSn-α-amylase-FLD) detection system and molecular docking, which could efficiently separate extracts, quickly detect α-amylase inhibitors, and determine their structures. Molecular docking confirms the inhibition of these compounds. The molecular interaction between α-amylase and the active compound was evaluated. Among the 101 compounds identified, 28 compounds had a strong inhibitory effect on α-amylase. Molecular docking screening confirmed the inhibition of these compounds and evaluated the molecular interactions between α-amylase and 30 active compounds, which strongly supported the experimental results. Among the evaluated compounds, onjisaponin R (83) and polygalaxanthone III (11) have the strongest inhibitory activity to α-amylase (the binding energies were -9.639 and -8.972 kcal/mol, respectively) and are potential lead compounds against diabetes. This study proved the feasibility of using the existing platform to screen the active ingredients in PR extract, and provided a practical method for the rapid screening of potential anti-diabetic active ingredients in traditional Chinese medicine.

Characteristics and in vitro properties of potential probiotic strain Fructobacillus tropaeoli KKP 3032 isolated from orange juice.

Fructobacillus, a Gram-positive, non-spore-forming, facultative anaerobic bacterium, belongs to the fructophilic lactic acid bacteria (FLAB) group. The group's name originates from fructose, the favored carbon source for its members. Fructobacillus spp. are noteworthy for their distinctive traits, captivating the interest of scientists. However, there have been relatively few publications regarding the isolation and potential utilization of these microorganisms in the industry. In recent years, F. tropaeoli has garnered interest for its promising role in the food and pharmaceutical sectors, although the availability of isolates is rather limited. A more comprehensive understanding of Fructobacillus is imperative to evaluate their functionality in the industry, given their unique and exceptional properties. Our in vitro study on Fructobacillus tropaeoli KKP 3032 confirmed its fructophilic nature and high osmotolerance. This strain thrives in a 30% sugar concentration, shows resistance to low pH and bile salts, and exhibits robust autoaggregation. Additionally, it displays significant antimicrobial activity against foodborne pathogens. Evaluating its probiotic potential, it aligns with EFSA recommendations in antibiotic resistance, except for kanamycin, to which it is resistant. Further research is necessary, but preliminary analyses confirm the high probiotic potential of F. tropaeoli KKP 3032 and its ability to thrive in the presence of high concentrations of fructose. The results indicate that the isolate F. tropaeoli KKP 3032 could potentially be used in the future as a fructophilic probiotic, protective culture, and/or active ingredient in fructose-rich food.

Validated Multimethod Approach for Full Characterization of 2'-Fucosyl-d-lactose as an Industrially Produced Human Milk Oligosaccharide.

Human milk oligosaccharides are of high interest as active ingredients in infant formulas and dietary food supplements. Full characterization of members of this compound class is challenging due to the intrinsic complexity of byproducts during synthesis by fermentation. Moreover, when method validation is targeted for a regulated environment, a robust chromatographic separation of the highly polar oligosaccharides needs to be addressed, including isomers and compounds relevant for potential product adulteration. We present a combined approach of validated chromatography and NMR spectroscopy, which allows for full mass balancing of industrially produced 2'-fucosyl-d-lactose. A combination of NMR spectroscopy, mass spectrometry, and action IR spectroscopy tackles structural elucidation of monoacetylated species as a new class of byproducts.

Mechanism of traditional drug treatment of cancer-related ascites: through the regulation of IL-6/JAK-STAT3 pathway.

Our clinical observation found that JiJiaoLiHuang Pill (JJLH), a classic traditional Chinese medicine (TCM) formulation, can significantly reduce the abdominal circumference of patients with malignant ascites, increase urine output, and improve the quality of life of patients, with preliminary efficacy. But, the exact mechanism is not yet clear. Based on the above observations, the potential mechanism of action of the treatment was preliminarily explored. We identified active ingredients by constructing a "Chinese medicine ingredient-key target-target" network, and verified them by molecular docking using AutoDock tools and PyMOL. Finally, we conducted preliminary verification of the validated pathways and targets using a mouse model of liver cancer ascites. Network pharmacology analysis obtained the top five active ingredients were quercetin, EUPATIN, kaempferol, Obtucarbamate B, and isorhamnetin and the top five key genes were SRC, HSP90AA1, MAPK1, STAT3, and PIK3CA. Molecular docking showed that all 5 active compounds were closely bound to key target genes (binding energy <-6). The animal experiment results showed that JJLH can significantly reduce abdominal circumference, increase urine output, and exhibit dose-dependent inhibition of the AQP-3/JAK-STAT-3 signaling pathway and the expression of related inflammatory factors. The JJLH potentially inhibits the recurrence of liver cancer malignant ascites through the AQP-3/JAK-STAT-3 pathway and affects the prognosis of MA patients.

Polymer- and Lipid-Based Nanostructures Serving Wound Healing Applications: A Review.

Management of hard-to-heal wounds often requires specialized care that surpasses the capabilities of conventional treatments. Even the most advanced commercial products lack the functionality to meet the needs of hard-to-heal wounds, especially those complicated by active infection, extreme bleeding, and chronic inflammation. The review explores how supramolecular nanovesicles and nanoparticles-such as dendrimers, micelles, polymersomes, and lipid-based nanocarriers-can be key to introducing advanced wound healing and monitoring properties to address the complex needs of hard-to-heal wounds. Their potential to enable advanced functions essential for next-generation wound healing products-such as hemostatic functions, transdermal penetration, macrophage polarization, targeted delivery, and controlled release of active pharmaceutical ingredients (antibiotics, gaseous products, anti-inflammatory drugs, growth factors)-is discussed via an extensive overview of the recent reports. These studies highlight that the integration of supramolecular systems in wound care is crucial for advancing toward a new generation of wound healing products and addressing significant gaps in current wound management practices. Current strategies and potential improvements regarding personalized therapies, transdermal delivery, and the promising critically evaluated but underexplored polymer-based nanovesicles, including polymersomes and proteinosomes, for wound healing.

Aedes aegypti control in breeding sites through an insecticidal coating with dual effect: Laboratory trials and safety assessment.

Ground water tanks are known to be preferred Aedes aegypti oviposition places providing opportunities for adult and larvae control. Therefore, a dual-effect insecticidal coating (IC) (alphacypermethrin/ pyriproxyfen) with a slow-release mechanism and safe for users could be applied within Aedes spp. breeding sites, representing a promising option. Bioassays were designed to determine the mortality and sterilizing effects on gravid mosquitoes exposed to IC. The effect of inhibition of emergence was evaluated in eggs, larvae and pupae exposed in different containers. For the water safety assessment concentrations of active ingredients were determined by reverse phase high performance liquid chromatography (RP-HPLC) and the health risk was calculated. The IC applied to the interior walls of water-holding containers showed efficacy against Ae. aegypti in terms of high gravid-female mortality (81% at 24 h, p < 0.01), sterilizing effect (inhibition of oviposition by 63%, p < 0.01) and emergence inhibition (100% in eggs, L3 and L4; 97% in pupae). The offspring rate was reduced [only 0.15 (38/250) new adults emerged per exposed gravid females as against 11.90 per unexposed female (2976/250) at baseline]. Emergence inhibition was recorded up to 12 months and adult mortality >80% up to 6 months. The use of water stored in treated containers, either for washing or drinking, is not expected to pose a health risk to users. IC applied to domestic water containers has dual and complementary action that reduces Ae. aegypti densities (immature and adult stages). This represents baseline information for a cluster randomized efficacy trial in Colombia.

Pharmacokinetic-Pharmacodynamic Modeling of the Immune-Enhancing Effect of Shikimic Acid in Growing Pigs.

Shikimic acid (SA), extracted from the fruit of shikimi-no-ki, is used both as a preservative in the food industry and as an intermediate for a variety of active ingredients with a wide range of pharmacological functions. A deeper understanding of the pharmacokinetic process of SA in pigs and its impact on humoral immunity could prove invaluable in facilitating its clinical application in veterinary and human medicine. The pharmacokinetic study employed a two-period, two-sequence, crossover design to animal experiments and developed a novel method of pig plasma preparation using water as an extractant and ionization promoter, followed by purification and enrichment on a MAX solid phase extraction (SPE) column. The results showed that SA is rapidly absorbed after intragastric administration (50 mg/kg BW), reaching a plasma Cmax of 10,823.44 ng/mL at 1.78 h, followed by rapid elimination, with a t1/2 of 1.81 h, consistent with a one-compartment model. The results for intravenous administration (2 mg/kg BW) were consistent with a two-compartment open model with a t1/2 of 3.66 h, with concentrations below the limit of quantification (LOQ) observed beyond 12 h postdose. The absolute bioavailability of SA in pigs was calculated to be 21.68%. Furthermore, the Pearson's correlation analysis demonstrated a strong positive correlation between SA concentration in pig plasma and the changes of C3, C4 and IgG, IgA, and IgM (0.6 < R < 1, P < 0.0001). A more detailed pharmacokinetic-pharmacodynamic (PK-PD) modeling analysis of the intravenous group revealed the EC50/Cmax values of approximately 10%, with all γ values exceeding 3. This study was the inaugural investigation into the pharmacokinetics of SA in growing pigs, and it also revealed that SA has the potential to act as an immunopotentiator.

Eugenol, Isoeugenol, Thymol, Carvacrol, and Ester Derivatives as an Ecofriendly Option to Control Glomerella Leaf Spot and Bitter Rot on Apple.

Glomerella leaf spot (GLS) and bitter rot (BR) are severe diseases of apple. Colletotrichum nymphaeae and Colletotrichum chrysophillum are the main species in Brazil. To control GLS and BR in Brazilian apple orchards, mancozeb and thiophanate-methyl fungicides are still used despite reported Colletotrichum resistance to these active ingredients. In addition, mancozeb has been banned from apple-importing countries and it has been a great challenge for apple producers to find products for its replacement that are eco-friendly. So, this study aimed to search for alternatives to control the diseases. We assessed the antifungal activity of eugenol, isoeugenol, thymol, carvacrol, and some of their ester derivatives. The best products to inhibit the pathogen in in vitro assays were thymol, thymol butyrate, and carvacrol, completely inhibiting mycelial growth at 125 mg L-1 and conidial germination at 100 mg L-1. In detached apple fruit, eugenol, eugenyl acetate, carvacryl acetate, and thymol butyrate, significantly reduced BR symptoms caused by Colletotrichum species with some variation between experiments and species, decreasing the risk of BR with the time compared to control. In detached leaves, all tested compounds significantly reduced the risk of development of GLS symptoms with disease control varying from 30 to 100%. The compounds tested are promising alternatives to replace fungicides to control bitter rot and Glomerella leaf spot on apple culture and should be tested for field conditions.

Isolation, Identification, and Analyzing the Biological Characteristics of Pathogens Causing Stem Rot of Lanzhou Onion During Postharvest Storage and Studying the Influence of Pathogen Infection on the Active Components of Lanzhou Onion.

This study was conducted in order to explore the pathogens that cause stem rot of fresh onions during postharvest storage, identify the incidence of stem rot, investigate the influence of pathogen infection on the active components of onion, and provide a theoretical basis for disease control during the postharvest storage of fresh onions. The pathogens were isolated and purified from the junction between the rotten and healthy tissues of onion stem rot that occurred naturally during storage at room temperature by tissue separation; then, the pathogens were identified by morphological and molecular biological techniques, the biological characteristics of the pathogens were analyzed, and finally, the influence of pathogen infection on the active ingredients of onion was studied. The results suggested that the main pathogens causing stem rot of fresh onions during postharvest storage were Talaromyces pinophilus, Trichoderma simmonsii, and Talaromyces minioluteus. The optimum colony growth conditions for T. pinophilus were as follows: a temperature of 30 °C, a pH of 7, light for 24 h, maltose as a carbon source, and peptone as a nitrogen source; the lethal temperature was 65 °C for 15 min. For T. simmonsii, the lethal temperature was 60 °C for 15 min, and the optimum sporulation conditions were a temperature of 25 °C, a pH of 5-7, light for 24 h, a carbon source of sucrose, and a nitrogen source of yeast powder. For T. minioluteus, the lethal condition was 65 °C for 15 min; the optimum colony growth conditions were a temperature of 25 °C, a pH of 8-9, 24 h of darkness, a carbon source of maltose, and a nitrogen source of peptone. The relative content of sulfur compounds, as the active components of onions, was much lower in the infected onions than in the healthy onions due to infection by the pathogens T. pinophilus, T.simmonsii, and T.minioluteus. This study will provide a theoretical basis for further effective control of the occurrence of postharvest stem rot diseases of onions.

Fine-Tuning Porous Structure of Zirconium-Based Metal-Organic Frameworks for Efficient Separation and Purification of Astaxanthin by Defect Engineering.

Efficient separation of bioactive compounds from nature source, particularly that of astaxanthin (AXT), remains challenging due to their low content in complicated matrix and readily degradable structure. Herein, a modulator-induced defect engineering is presented on the stable zirconium-based metal-organic frameworks (Zr-MOFs) to optimize pore size and pore chemistry for the efficient separation and purification of AXT for the first time. High adsorption capacity of 26.21mgg-1 is achieved on the best-performing defect Zr-MOF (d-UiO-67-4), superior over the other reported adsorbent for AXT. Meanwhile, d-UiO-67-4 exhibits the selective adsorption of AXT over other carotenoids analogues with similar structure and properties. This is attributed to the preferential non-covalent interactions between defect framework and AXT revealed by the spectroscopy analysis and density functional theory (DFT) calculations. High purity of AXT with 89.0%±2.3% extraction efficiency can be realized after the purification of AXT by d-UiO-67-4. The practical separation performance of d-UiO-67-4 for AXT extracted from Haematococcus pluvialis is demonstrated by fixed-bed column-based dynamic adsorption and desorption experiments. This work broadens the preparation methods for thermosensitive active substances and provided new research ideas for the controlled adsorption of functional food factors.

Formulation and Release of Active Pharmaceutical Ingredients Using a Supramolecular Self-Healing Two-Component Gel.

A two-component low-molecular-weight gelator (LMWG) formed from a modified amino acid and an aldehyde was formulated with active pharmaceutical ingredients (APIs). Basic APIs (propranolol, atropine) can be mixed with the LMWG prior to gel assembly while acidic APIs (naproxen, rosuvastatin) inhibit assembly by disrupting the LMWG imine bond and were loaded by diffusion after gel assembly. For diffusion-loaded gels, the API in the liquid-like phase was rapidly released, with the remainder, interacting with gel fibres, retained in the gel. Rosuvastatin release was particularly low with Saturation Transfer Difference (STD) NMR indicating interactions between the aromatic ring and the self-assembled gel network. Propranolol also interacted with the gel via its aromatic unit, and its release led to gel erosion. Using agarose as a polymer gelator additive reinforced the gel, restricting erosion. In contrast, atropine was readily released over a period of hours - it is primarily in the liquid-like phase with STD NMR indicating no interactions with the gel network. The atropine-loaded gel retained its thixotropic properties. Overall, APIs must be carefully chosen to optimise formulation/release. Of the APIs investigated, atropine has most potential for further development. Atropine has applications in treating myopia, and our results suggest potential ophthalmic applications of supramolecular gels.

Graph Neural Networks with Multi-features for Predicting Cocrystals using APIs and Coformers Interactions.

Active pharmaceutical ingredients (APIs) have gained direct pharmaceutical interest, along with their in vitro properties, and thus utilized as auxiliary solid dosage forms upon FDA guidance and approval on pharmaceutical cocrystals when reacting with coformers, as a potential and attractive route for drug substance development. However, screening and selecting suitable and appropriate coformers that may potentially react with APIs to successfully form cocrystals is a time-consuming, inefficient, economically expensive, and labour-intensive task. In this study, we implemented GNNs to predict the formation of cocrystals using our introduced API-coformers relational graph data. We further compared our work with previous studies that implemented descriptor-based models (e.g., random forest, support vector machine, extreme gradient boosting, and artificial neural networks). All built graph-based models show compelling performance accuracies (i.e., 91.36, 94.60 and 95. 95% for GCN, GraphSAGE, and RGCN respectively). RGCN demonstrated effectiveness and prevailed among the built graph-based models due to its capability to capture intricate and learn nuanced relationships between entities such as non-ionic and non-covalent interactions or link information between APIs and coformers which are crucial for accurate predictions and representations. These capabilities allows the model to adeptly learn the topological structure inherent in the graph data.

Designing mouthwash formulations with innovative molecular components to control initial dental erosion in vivo.

This study aimed to examine and compare the efficacy of mouthwashes containing different proteins and peptide on the prevention of enamel erosion in vivo, as well as to evaluate the participants' satisfaction with the formulations. Twelve participants were selected and underwent five cross-over mouthwash phases: Water (control); 0.1mg/mL CaneCPI-5; 0.5mg/mL MaquiCPI-3; 0.1mg/mL CsinCPI-2; and 0.037mg/mL Stn15pSpS. After prophylaxis, the participants rinsed (1min), followed by the acquired enamel pellicle (AEP) formation (2h). An erosive challenge was made (biopsy, citric acid 1%, 15s) on the buccal surface of the central maxillary incisors. The Relative Surface Reflection Intensity (%SRI) was assessed and analyzed by ANOVA/Tukey's tests. The calcium release in acid was measured by the Arsenazo method and verified by Kruskal-Wallis/Dunn's tests. The Spearman's correlation was used between analyses. A questionnaire evaluated the satisfaction of participants. For both analyses, the results showed that mouthwashes containing the proteins or peptide were significantly more effective in preventing enamel erosion compared to deionized water, with no significant differences among the active ingredients (p < 0.05). Also, there was a significant negative correlation between %SRI and calcium released (r=-0.5754). The questionnaire revealed that the volunteers were satisfied with the taste of the products. In addition, the experimental procedures were well tolerable, and no side effects were reported. All mouthwashes containing proteins or peptide were acceptable and effective in protecting enamel against initial dental erosion in vivo. This study highlights the potential of these pioneer organic components for the development of mouthwashes designed for people with risk of erosive tooth wear.

Use of complementary and alternative medicine by cancer patients attending Jaramogi Oginga Odinga Teaching and Referral Hospital, Kenya

This study aimed to determine the prevalence and patterns of complementary and alternative medicine use among cancer patients at Jaramogi Oginga Odinga Teaching and Referral Hospital's Oncology and Palliative Care Unit. A cross-sectional study was carried out at the hospital. Seventy-one (71) participants were conveniently sampled. They were eligible to participate if they were at least 18 years old, had a cancer diagnosis, and could comprehend the questions. A questionnaire was used to collect data that was then analysed using STATA 13.0 at a 0.05 level of significance. Participants included 25(35.2%) males and 46(64.8%) females were recruited. About 67.6 per cent of the participants used complementary and alternative medicine. Majority used it for Tumour suppression (n = 25, 52.1%), and most sourced from CAM practitioners (n = 23, 47.9%). Overall, 60.4 per cent of complementary and alternative medicine users experienced side effects, with diarrhoea affecting the greatest percentage (62.1%). The highest level of education was found to be positively associated with the use of complementary and alternative medicine (aOR=3.337). In conclusion, complementary and alternative medicine is widely used by cancer patients attending Jaramogi Oginga Odinga Teaching and Referral Hospital Oncology and Palliative Care Unit. As a result, there is need identify specific herbs taken by cancer patients, evaluate their active constituents, and investigate their potential anticancer mechanisms, as well as assess their knowledge, attitude, and perspective.