Methanol Solvent Research Articles

Effects of bio-insecticide formulated from M. charantia leaves extract in association with gum Arabic/kaolinite composite on mortality of Callosobruchus maculatus and nutritional composition of cowpea (Vignaunguilata)

The preservation of post-harvest losses of cowpeas constitutes a major challenge for producers worldwide. Therefore, the aim of this work was to investigate the nutritional qualities of cowpea seeds treated with a bio-insecticide formulated from M. charantia leaves extract in association with gum arabic/kaolinite composite. Three bio-insecticides were formulated using different ethyl acetate, hexane and methanol solvents. These bio-insecticides were obtained by introducing each into a bottle, 10 g of composite in 10 mL of a solution (1 mg/L of extract each extract). However, 5 doses of each formulation (1 %–5 %) were prepared. Each dose of insecticide powders received 20 g of cowpea seeds and then infested with 10 C. maculatus previously starved for 48 h. Then, the biochemical parameters of untreated and treated cowpea seeds using the methanol formulation were evaluated. The obtained results showed that insecticide formulated at 5 % with methanol induced 100 % mortality rate on the second day of treatment with a lethal dose of 0.10 % which is related to its high content of triterpenes and polyphenols. The untreated (UWH) and treated (TWH) seeds without husk have the same contents of ash (2.19 %), proteins (29.14 %), fibers (2.69 %), vitamin C (147.32 mg/100 g) and carbohydrates (53.20 %), while untreated and treated seeds with husk showed the same values in these nutrients even for minerals content. Hence, biochemical analyzes of cowpea seeds treated with the formulated insecticide showed no change in nutritional quality and M. charantia leaves extract in association with gum arabic/kaolinite composite could be used as insect repellent.

Ultrasonic-Assisted Water-Rich Natural Deep Eutectic Solvents for Sustainable Polyphenol Extraction from Seaweed: A Case Study on Cultivated Saccharina latissima.

This case study introduces a green, 1 h single-step method using water-rich natural deep eutectic solvent (WRNADES) for ultrasound-assisted extraction (UAE) of polyphenols fromSaccharina latissima, a commercially cultivated brown seaweed. The extraction efficiency was evaluated using a selective quantitative NMR method (s-qNMR) and the traditional nonselective colorimetric total phenolic content assay (TPC). Initial 6 h extractions in traditional solvents (methanol, ethanol, acetone, and ethyl acetate) showed a 40-60% increase in polyphenolic yields in 50% aqueous solutions measured by the TPC method. Six different water-rich (50%) NADES (WRNADES) combinations were tested (choline chloride/betaine with lactic acid, citric acid, and 1,3-butanediol), with betaine and 1,3-butanediol (1:1) proving most effective. Parameters for the WRNADES were optimized using Box-Behnken design response surface methodology, resulting in a 1:20 w/w biomass to solvent ratio and a 1 h extraction time at 50 °C. The WRNADES extraction process was refined into a scalable, single-step procedure and compared with traditional solvent extractions (6 h, 50% aqueous methanol and acetone). A final XAD-7 polyphenol recovery step was included in all extractions. The optimized WRNADES extraction yielded 15.97 mg GAE/g of the dry weight recovered polyphenolic extract (s-qNMR), exceeding the 6 h 50% aqueous methanol (12.4 mg GAE/g) and acetone (11.4 mg GAE/g) extractions. Thus, the UAE-WRNADES method presented in this case study provides a cost-effective, sustainable, and eco-friendly alternative for the extraction of phenolic compounds from seaweed. It promotes the development of environmentally friendly production processes within the seaweed biorefinery.

Antioxidant potentials of Acanthus ilicifolius leaves from Southwest Coastal Region of Bangladesh

This research delves into the antioxidant potential of Acanthus ilicifolius leaves harvested from the southwestern coastal region of Bangladesh. Four distinct solvents—methanol, ethanol, acetone, and ethyl acetate—were utilized to determine antioxidant activities. Initial phytochemical screening unveiled the existence of many secondary metabolites, including as flavonoids, phenols, alkaloids, and others. Total phenolic content, total flavonoid content, and total proanthocyanidin content were determined using quantitative analysis. The assessment of antioxidant activity was conducted using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2-Azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) scavenging assays. Notably, the acetone extract of Acanthus ilicifolius exhibited the highest total phenolic content (24.75 mg of GA/g), total flavonoid content (12.9 mg of catechin/g), and total proanthocyanidins content (11.47 mg of catechin/g). The ethanol extract displayed the most robust antioxidant activity in both DPPH (91.41 %) and ABTS (66.78 %) scavenging assays among the crude extracts, underscoring its potential as a valuable source of antioxidants. The results emphasise the crucial importance of choosing the appropriate solvent in the extraction procedure and suggest that Acanthus ilicifolius leaves, particularly when extracted with ethanol, acetone, or methanol, hold promise as a natural source of antioxidants. This study offers valuable insights into the bioactive potential of Acanthus ilicifolius leaves.

Integrative process of extraction and purification of tagitinin C using ethanolic two-phase system based on protic ionic liquids

Tithonia diversifolia is a tropical plant composed of several compounds with medicinal properties. This study aimed to design a sequential process for the extraction of tagitinin C from T. diversifolia using organic solvents (acetone, acetonitrile, methanol, and ethanol) and purification in the ethanolic two-phase system (ETPS) formed by protic ionic liquids (PILs), polypropylene glycol 2000 (PPG-2000) and ethanol, reported here for the first time. The extraction process variables such as type of solvent, solid–liquid ratio, temperature, and process time were evaluated. Ethanol was the best tagitinin C extracting agent (702.1 µg/mL). Phase diagrams were constructed using PPG-2000, PIL, and ethanol at 298.15 K. The sequencing with the purification process occurred by adding the other constituents directly into the ethanol extract. Tagitinin C preferentially migrated to the top phase (rich in PPG-2000), while phenolic compounds (contaminants) were partitioned mainly to the opposite phase (PIL-rich phase). ETPS formed by [2HEA][Ac] (15.52 wt%) + PPG 2000 (49.91 wt%) + ethanol (34.57 wt%) at 298.15 K presented the highest selectivity (S = 18.3), extraction efficiency in the top phase (EE% = 86 %) and purification factor (3.4-fold), demonstrating the ability of ETPS to selectively and sequentially extract and purify tagitinin C.

Chemical characterization of heat‐treated kraft lignin after fractionation with organic solvents and pH effect

AbstractLignin, the main source of renewable aromatics, has a complex structure, high polydispersity, and low reactivity, which hinders its large‐scale use. This study aims to improve lignin reactivity through heat treatment combined with fractionation by organic solvents or the pH effect. Heat treatment of commercial hardwood black liquor was performed at 225 °C for 150 min. The samples were then fractionated either by using organic solvents (ethyl acetate, ethanol, methanol, and acetone) or by lowering pH using hydrochloric acid (HCl) (pH values 1, 3, 5, 7, and 9). The fractionation was carried out in one step and in sequential mode. The fractionated samples were characterized chemically by the content of acid‐soluble and acid‐insoluble lignin, carbohydrates, ash, inorganic compounds (metals), elemental analysis, and by pyrolysis‐gas chromatography–mass spectrometry (Py‐GC–MS). The highest mass yields were obtained using the one‐step mode for both fractionations, with yields as high as 53.3% for organic solvents and 47.8% for the pH effect. Solvent fractionation reduced ash content by up to 75.4% and increased calorific value, carbon content, and total lignin content. Fractionation by pH effect showed an ash reduction of up to 55.9% and an increase in calorific value and carbon content of up to 8.7 MJ kg−1 and 49.7%, respectively. The Hansen solubility parameters were also calculated to address lignin's solubility in each of the tested solvents. These findings indicate that combining heat treatment and fractionation techniques improves lignin's chemical properties significantly, making it a more viable raw material for industrial use. This approach supports the circular economy by transforming lignin into a high‐value product, thereby promoting sustainable and efficient resource utilization across industries.

Investigation of Cytotoxic Effects of Tragopogon reticulatus Against HepG2 and MCF-7 Cell Lines and Antioxidant, Antimicrobial Effects Against Some Microorganisms

Plants have been used for various purposes throughout history. This subject has received increasing attention in the field of traditional medicine in recent years. Tragopogon reticulatus, as a forage grass plant in turkey, is a species that stands out with rich vitamin and mineral content. The aim of this study was to investigate the antimicrobial, antioxidant, and cytotoxic activities of T. reticulatus. Two separate extracts were prepared at different concentrations using hexane and methanol solvents obtained from the T. reticulatus plant, and cytotoxic activity was evaluated by the MTT Assay (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) method on human liver cancer (HepG2) and human breast cancer (MCF7) cell lines. The antioxidant activity of the extracts obtained from methanol and hexane was determined by the DPPH (2,2-diphenyl 1-picrylhydrazyl) radical scavenging capacity method. Antimicrobial activity was evaluated by the disk diffusion method, and bacteria such as Staphylococcus aureus, Klebsiella pneumoniae, Escherichia coli, Bacillus megaterium, and Candida albicans fungus were used in the study. The hexane extract obtained from the T. reticulatus plant showed a high cytotoxic activity of 44% in the MCF7 cell line, while it showed a 51% dead cell count in the HepG2 cell line. When the antioxidant results were evaluated, it was determined that the DPPH radical scavenging effect of the hexane extract exhibited the most effective activity at 19%. When the antimicrobial results were evaluated, it was determined that the concentrations prepared with hexane exhibited the most effective activity with a zone diameter of 16 mm against B. megaterium. These findings suggest that T. reticulatus plant extracts can be considered as a potential source. These results may shed light on future research into the biological effects of the plant and contribute to the development of new treatment methods.

Extraction of apple pomace polyphenols using natural deep eutectic solvents: A sustainable approach

To effectively utilize apple pomace resources, we extracted apple pomace polyphenols using natural deep eutectic solvent (NADES) as the medium, with a solvent-to-solid ratio of 50 mL/g, for a duration of 120 min. Compared to conventional extraction solvents (ethanol and methanol), four NADES significantly enhanced the extraction efficiency of polyphenols from apple pomace. Notably, NADES 1 (betaine: urea = 1:1, 30% water) and NADES 2 (betaine: malic acid = 1:1, 30% water) exhibited superior extraction capabilities, with maximum values reaching 5.245 ± 0.124 mg GAE/g pomace and 5.157 ± 0.164 mg GAE/g pomace, respectively, in Qinguan apple pomace. Both solvents reached their maximum extraction efficiency within 120 min, with NADES 1 achieving a maximum extraction amount of 4.8325 mg GAE/g and NADES 2 achieving 5.3039 mg GAE/g from Fuji apple pomace. NADES 1 and NADES 2 were more efficient in extracting monophenols such as quercetin, rutin, gallic acid, and procyanidin, whereas organic solvents (methanol and ethanol) were more effective for monophenols like methyl gallate and phlorizin. Furthermore, polyphenol extracts obtained using NADES from Fuji apple pomace displayed varying levels of antibacterial effectiveness, with NADES 4 (glucose: lactic acid = 1:5, 60% water) and NADES 2 showing superior efficacy against Escherichia coli and Staphylococcus aureus. This comprehensive study not only demonstrated the potential of NADES in extracting polyphenols from apple pomace but also highlighted their applicability as natural preservatives in the food industry.

Extraction of anthocyanins from purple sweet potato using supercritical carbon dioxide and conventional approaches

This research investigates the potential of supercritical carbon dioxide (SCCO2) technology as a green and sustainable approach to improve anthocyanin extraction from purple sweet potatoes (PSP). The study explored different extraction parameters (i.e., temperatures of 35–55 °C, cosolvent concentrations of 10–30 % (w/w), ethanol ratios of 30–70 % (v/v), pressures of 30–40 MPa, extraction times of 120–180 min, and solvent: sample ratios of 25:1–45:1(v/w)), to optimize the total phenolic content (TPC), anthocyanin content (ANC), and antioxidant activity (AA). Additionally, conventional extraction methods using different solvent (ethanol and methanol) mixtures, solvent: sample ratios (15:1; 45:1; 6:1 (v/w)), temperatures (35–50 °C), and extraction times (50–60 min) were performed for the extraction of phenolic compounds from PSP. The highest TPC (340 mg GAE/g dry PSP), ANC (136 mg C3G/100 g dry PSP), and AA (ABTS (7.3 mg TEV/g dry PSP), DPPH (18.2 mg TEV/g dry PSP), and FRAP (1399 mg GAE/100 g)) were achieved with 30 MPa, 35 °C and 20 % cosolvent concentration operated for 180 min. These findings underscore the use of SCCO2 extraction to obtain anthocyanin extracts that can potentially be used as a coloring agent in the food industry. The proposed SCCO2 extraction method provides an eco-friendly alternative to conventional methods for extracting phenolic compounds.

The Impact of Polychlorinated Biphenyls on the Development of Zebrafish (Danio rerio).

Polychlorinated biphenyls (PCBs) are a group of 209 highly stable molecules that were used extensively in industry. Although their commercial use ceased in 1979, they are still present in many aquatic ecosystems due to improper disposal, oceanic currents, atmospheric deposition, and hydrophobic nature. PCBs pose a significant and ongoing threat to the development and sustainability of aquatic organisms. In areas with PCB exposure high mortality rates of organisms inhabiting them are still seen today, posing a significant threat to local species. Zebrafish were exposed to a standard PCB mixture (Aroclor 1254) for the first 5 days post fertilization, as there is a gap in knowledge during this important developmental period for fish (i.e., organization of the body). This PCB mixture was formally available commercially and has a high prevalence in PCB-contaminated sites. We tested for the effects of PCB dosage (control (embryo water only; 0 mg/L), methanol (solvent control; 0 mg/L); PCB 1 (0.125 mg/L), PCB 2 (0.25 mg/L), PCB 3 (0.35 mg/L), and PCB 4 (0.40 mg/L)) on zebrafish survival, rate of metamorphosis, feeding efficiency, and growth. We found significant, dose-dependent effects of PCB exposure on mortality, feeding efficiency, and growth, but no clear effect of PCBs on the rate of zebrafish metamorphosis. We identified a concentration in which there were no observable effects (NOEC), PCB concentration above the NOEC had a significant impact on life-critical processes. This can further inform local management decisions in environments experiencing PCB contamination.

Parentucellia viscosa (growing in Türkiye): Essential Oil, Phenolic Composition, Antimicrobial and Lipase Inhibition

The essential oil (EO) and phenolic constituents of Parentucellia viscosa L. were analyzed by GC-FID-MS and HPLC, respectively. A total of 20 volatile compounds were identified accounting for 99.97% in hydrodistillation. Monoterpenes (50.57%, 5 compounds) were the primary chemical class in the essential oil of P. viscosa. Limonene (44.02%) and 1-octen-3-ol (25.23%) were the major components in the essential oil of P. viscosa. The phenolic constituent analysis for the methanol extract of P. viscosa gave benzoic acid (0.97 mg/g) as the major compound. The antimicrobial activities of the EO and crude solvent (n-hexane, acetonitrile, methanol, and water) extracts of P. viscosa were screened in vitro against ten microorganisms. n-Hexane and the acetonitrile extracts of P. viscosa resulted in the best activity against Mycobacterium smegmatis with IC50 values of 19.2 µg/mL and 53.8 µg/mL, respectively. The highest lipase enzyme inhibition activity was detected in the n-hexane extract with 44.22±1.1628 µg/mL IC50 value.

Comparative metabolites profiling of different solvent extracts of Asparagus species cladodes using liquid chromatography-mass spectrometry-based metabolomics and molecular networking.

Asparagus species are naturally distributed worldwide and are known for their pharmacological properties that offer cures for various ailments. However, the metabolic choreography of these Asparagus species is not well characterized, and the compounds contributing to their bioactivities remain unknown. This study aimed to profile and compare the metabolomes of three Asparagus species cladodes using different solvent extractions. An ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry-based metabolomics and molecular networking approach was used to study the effects of different solvents (ethyl acetate, methanol, and chloroform) with varying polarity on metabolites extraction and identification of bioactive compounds from three Asparagus species cladodes (Asparagus falcatus, Asparagus plumosus, and Asparagus densiflorus 'Meyersii'). Multivariate statistical analyses (mainly principal component analysis) revealed a significant separation between the three solvents and the three species, indicating notable metabolic differences. A total of 118 metabolites were identified in the three species extracted with the different solvents, with methanolic and chloroform extracts containing more metabolites compared with ethyl acetate extracts. These metabolites were identified as belonging to the flavonoids, cinnamic acids, organooxygen compounds, steroids, fatty acids, benzenes, and glycerophospholipids compound classes. Furthermore, these compounds classes were differentially distributed among the three species, indicating chemical/chemotaxis differences between the compared species. Chloroform and methanol are recommended as the optimal solvents to obtain a high content of phytochemical compounds from Asparagus species cladodes.

Bis[2-(isoquinolin-1-yl)phenyl-κ2 N,C 1](2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline-κ2 N,N')iridium(III) hexa-fluorido-phosphate methanol monosolvate.

The title compound, [Ir(C15H10N)2(C19H12N4)]PF6·CH3OH, crystallizes in the C2/c space group with one monocationic iridium complex, one hexa-fluorido-phosphate anion, and one methanol solvent mol-ecule of crystallization in the asymmetric unit, all in general positions. The anion and solvent are linked to the iridium complex cation via hydrogen bonding. All bond lengths and angles fall into expected ranges compared to similar compounds.

Larvicidal potential of Trachyspermum ammi essential oil and Delphinium speciosum extract against malaria, dengue, and filariasis mosquito vectors

Mosquito-borne diseases, such as malaria, dengue, and Zika, pose major public health challenges globally, affecting millions of people. The growing resistance of mosquito populations to synthetic insecticides underscores the critical need for effective and environmentally friendly larvicides. Although chemical pesticides can initially be effective, they often lead to negative environmental consequences and health hazards for non-target species, including humans. This study aimed to evaluate the larvicidal effects of Trachyspermum ammi essential oil and Delphinium speciosum extract on the larvae of three major mosquito species: Aedes aegypti, Anopheles stephensi, and Culex quinquefasciatus. Mosquito larvae of Ae. aegypti, An. stephensi, and Cx. quinquefasciatus were reared under controlled laboratory conditions. The larvicidal activity of T. ammi essential oil and D. speciosum extract was evaluated through standard bioassays, using various concentrations of essential oils (10, 20, 40, 80, and 160 ppm) and extracts (160, 320, 640, 1280, and 2560 ppm) to determine the lethal concentration (LC50) values after 24 h of exposure. Fresh plant materials were collected, with the essential oil extracted via hydro-distillation, and the extract prepared using methanol solvent extraction. The chemical composition of T. ammi essential oil was examined using gas chromatography-mass spectrometry (GC-MS). Additionally, the preliminary analysis of the chemical compounds in D. speciosum extract was carried out using thin layer chromatography (TLC) and nuclear magnetic resonance spectroscopy (NMR) techniques. The results indicated that the essential oil of T. ammi exhibited more effective larvicidal activity compared to the D. speciosum extract. Specifically, the essential oil demonstrated LC50 values of 18 ppm for Cx. quinquefasciatus and 19 ppm for Ae. aegypti. In contrast, the D. speciosum extract showed the strongest larvicidal effect against An. stephensi, with an LC50 of 517 ppm. Concentrations of 40 ppm of the essential oil and 1280 ppm of the extract resulted in 100% mortality across all three species. Both the essential oil of T. ammi and the D. speciosum extract exhibited concentration-dependent larvicidal activity, and these results were statistically significant (p < 0.001) compared to the no-treatment group. GC-MS analysis revealed thymol (88.95%), o-cymen-5-ol (4.11%), and γ-terpinene (2.10%) as the major constituents of the T. ammi essential oil. Additionally, TLC verified the presence of alkaloids in both chloroform and methanolic extracts. Proton NMR identified a diterpene structure for these alkaloids. These findings suggest that T. ammi essential oil is a promising candidate for natural mosquito control strategies. Given its efficacy, further research is warranted to explore its potential in integrated vector management programs.

Evaluation of Phytochemicals, Antioxidants, and Antidiabetic Activity of Nitophyllum marginale by Using Analytical Approaches

Background: Nitophyllum marginale holds potential for medical applications due to its bioactive compounds, making it promising for developing new therapeutic interventions. Our study aims to evaluate the bioactivity of Nitophyllum marginale extracts obtained using methanol and chloroform solvents. We focus on analyzing the phytochemical profile, antioxidant activity, and antidiabetic potential of seaweed extract in this study. By examining the medicinal properties of Nitophyllum marginale, we aim to explore the therapeutic bioactivity potentiality and its prime role in improvising and searching for potential alternatives for seizing Diabetes mellitus. Materials and Methods: The antioxidant activity of Nitophyllum marginale was evaluated using ABTS, DPPH, nitric oxide, lipid peroxidation, and hydrogen peroxide assays. Additionally, alphaglucosidase inhibition tests were conducted to evaluate the potential as an antidiabetic agent. Results: The study revealed that extracts from Nitophyllum marginale contain antioxidants that protect cells from oxidative stress. These extracts also contain bioactive compounds like alkaloids, flavonoids, phenols, saponins, and carbohydrates. These compounds work together to provide antioxidant benefits. Additionally, the extracts showed activity against alpha-glucosidase, which is vital for managing blood sugar levels. Conclusion:: These results emphasize the existence of bioactive metabolites exhibiting phytochemicals, antioxidants, and antidiabetic activities obtained from the extract using chloroform and methanol solvents. These findings suggest the potential of Nitophyllum marginale extracts as a natural reservoir of antioxidants and antidiabetic agents.

The application of copper sulfate mixed with Caesalpinia sappan L. extract to increase colorfastness in pressed blush products

This study aims to increase the colorfastness of pressed blush products by combining copper sulfate with Caesalpinia sappan L. extract. This experiment consisted of four conditions used for color extraction: 70% w w-1, 95% w w-1, 70% w w-1 with 10% w w-1 copper sulfate, and 95% w w-1 with 10% w w-1 copper sulfate. The highest yield percentage of crude extract was found at 70% w w-1, with the highest absorption value (λmax) at 70% methanol with 10% w w-1 copper sulfate. The darkest shade of red was found at 70% w w-1 with 10% w w-1 copper sulfate. The development of pressed blush occurred when corn starch was mixed with more white color and smell than arrowroot flour. The highest red color was achieved at 4.5% w w-1, with the highest red - purple intensity. The microbial contamination test showed no microbial contamination in pressed blush products. GRAPHICAL ABSTRACT HIGHLIGHTS Caesalpinia sappan L. was extracted using maceration methods with methanol solvent. Phytochemical screening revealed pink anthraquinone and anthocyanidins. The chemical properties showed a pH range of 5.31–5.74, maximum light absorption, and mordant increased absorption. A compress blush was developed with corn starch and arrowroot flour, suitable for the cosmetic industry.

Phytochemical screening, antibacterial, antioxidant, and cytotoxic activities of Geranium pusillum leaves.

Traditional medicinal plants play an important role in primary health care worldwide. The phytochemical screening and activities of Geranium pusillum were investigated in this research. The dried plant leaves were extracted with ethanol, n-hexane, chloroform, dichloromethane, methanol, acetone, and aqueous solvents. These extracts were qualitatively analyzed, GC-MS, antimicrobial activities by using the disc diffusion method, antioxidant activity was determined by 2,2-diphenyl-1-picryl-hydrazyl-hydrate (DPPH) radical scavenging, and cytotoxic activity was analyzed by the hemolytic activity of human red blood cells. The results showed phytochemicals such as flavonoids, terpenoids, steroids, phenols, saponins, tannins, and cardiac glycosides were detected in plant leaves. The ethanol extract at a concentration of 10 mg/mL showed a maximum inhibition zone 17.5 ± 0.09, 15.6 ± 0.11, 14.2 ± 0.17, 18.4 ± 0.11, 16.6 ± 0.15, 12.5 ± 0.13, 15.9 ± 0.10, and 13.1 ± 0.11 mm, and at 15 mg/mL showed 24.5 ± 0.09, 27.2 ± 0.12, 26.3 ± 0.17, 28.4 ± 0.10, 27.9 ± 0.16, 22.5 ± 0.13, 27.1 ± 0.10, and 24.1 ± 0.16 mm against Escherichia coli, Pasturella multocida (gram-negative), Staphylococcus aureus, Bacillus subtilus (gram-positive), Rhizopus solani, Aspergillus flavus, Aspergillus niger, and Alternaria alternate (fungal strain), respectively, and dichloromethane showed a minimum inhibition zone as compared to other extracts against bacterial as well as fungal strains. Chloroform extract had maximum antioxidant activity (45.00 ± 0.08%) and minimum in dichloromethane (12.20 ± 0.04%). Cytotoxic activity was found maximum in acetone extract (19.83 ± 0.07%) and minimum in ethanol extract (4.72 ± 0.04%). It is concluded that phytochemicals like phenols, flavonoids, and others may be responsible for these activities, which is why this plant is used for traditional medicine. RESEARCH HIGHLIGHTS: Geranium pusillum has therapeutic properties that exhibit various biological activities beneficial for human health. G. pusillum has significant inhibitory effects against bacterial and fungal strains. Chloroform solvent extract indicates potential free radical scavenging abilities. Acetone extract exhibits notable effects on human red blood cells and demonstrates significant cytotoxic activity.

An in vitro and in silico antidiabetic approach of GC–MS detected friedelin of Bridelia retusa

Bridelia retusa is a medicinal plant widely used to treat diabetes by ethnic populations worldwide, has been subjected to GC–MS-based profiling for the bark and fruit and identified 96 phytochemicals using ethyl acetate and methanol solvents. The DPPH antioxidant assay recorded that methanolic fruit extract had a maximum antioxidant activity of 83.01 % (IC50-103.03 µg/ml). The α-amylase inhibition activity was found maximum in ethyl acetate bark extract with 76.34 % (127.37 µg/ml), while methanolic fruit extract exhibited the highest α-glucosidase inhibition activity with 86.18 % (106.15 µg/ml). Subsequently, we have compared the antidiabetic potential for 3 pharmacologically significant bioactive constituents friedelin, imidazole & sylvestrene through docking and drug likeliness study and found friedelin has a maximum binding affinity with different protein targets followed by sylvestrene and is most suitable candidate for drug development for hyperglycemia. Molecular dynamics simulations revealed friedelin as the most stable binder to anti-diabetic target proteins, with notable structural insights provided by RMSD, RMSF, SASA, and PCA analyses. MM-PBSA calculations emphasized the significance of various energies with the α-amylase-Friedelin complex exhibiting the highest binding energy.

Phytochemical composition, simulated digestive bioaccessibility and cytotoxicity of Ficus auriculata Lour. fruits: In vitro and in silico insights

Ficus auriculata Lour. (Moraceae) is an underutilized wild edible fruit widely consumed for its nutritional properties. The present study aimed to determine the phytochemical composition and in vitro antioxidant, enzyme inhibitory, anti-inflammatory and anti-cancerous properties of the F. auriculata fruit extracts through in vitro digestion (oral, gastric and intestinal phases). The extracts were obtained by hot extraction and cold maceration methods using aqueous and methanolic solvents. Major phytoconstituents identified through LC-MS was subjected to molecular docking against the target proteins. The elemental analysis shows the presence of major elements; high levels of total phenolic compounds (124.61 ± 0.82 mg gallic acid equivalent/g), flavonoids (76.38 ± 0.82 mg quercetin equivalent/g), vitamin E (32.48 ± 0.09 mg alpha-tocopherol equivalent/g), and carbohydrate (34.59 ± 0.45 mg glucose equivalent/g) in hot extracted methanolic undigested extract (HEM UD) and high level of total protein (124.71 ± 0.34 mg bovine serum albumin equivalent/g) in cold extracted methanolic undigested fruit extract were found. HEM UD showed high antioxidant activity in 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid), 2,2-diphenyl-1-picryl-hydrazyl, and superoxide radical scavenging assays with IC50 of 53.30 ± 0.57, 80.69 ± 0.12, and 65.47 ± 1.13 μg/mL, respectively. The HEM UD extract also potentially inhibited the enzyme activity of α-amylase, α-glucosidase, tyrosinase, and protein denaturation (IC50 of 67.76 ± 1.22, 83.18 ± 1.23, 87.24 ± 1.15, and 65.76 ± 0.60 μg/mL). The most potent extract (HEM UD) was studied for its anticancer effects by MTT assay against the MCF-7 and HeLa cell lines with the IC50 of 89.80 ± 0.56 and 60.76 ± 0.04 μg/mL, respectively. The LC-MS analysis elucidated ten phytoconstituents. Based on the molecular docking study, querciturone could potentially be an effective constituent in treating diabetes and inflammation-related issues. The findings indicated the ability of F. auriculata fruits as a promising functional food.

Antibacterial Activity, Toxicity and Drug-Likeness Profiles of Woodfordia fruticosa-Derived Metabolites Using Computational-Aided Drug Design Platform

This study presents a comprehensive investigation into the phytoconstituents reported from Woodfordia fruticosa (L.) Kurz leaf and flower extracts using gas chromatography-mass spectrometry (GC-MS) analysis, along with some existing phytochemicals, to explore their potential antibacterial properties through molecular docking studies. Followed by bio-assay-guided leave and flower extraction with two solvent systems, i.e., methanol (polar) and petroleum ether (non-polar), was used and further subjected to GC-MS to identify and quantify various secondary metabolites. Based on spectral intensity and volume area, a total of 28 compounds (P1 to P28) have been selected from GC-MS analyses, and an additional 14 compounds (P29 to P42) from previous reports were selected for molecular docking studies against DNA gyrase subunit B (GryB) of Escherichia coli (PDB ID: 7P2M) and Staphylococcus aureus (PDB ID: 5D7R) with novobiocin as the standard. Further, docking score or binding affinity (kcal/mol.) of each ligand were investigated, where the 4,5-dihydro-4,4-undeca methylene-2-phenyl-1,3-oxazin-6-one (P20) with a docking score of -8.4 kcal/mol., from the GC-MS-derived group and the chrysophanol-8-O-β-d-glucopyranoside (P37) with a docking score of -9.7 kcal/mol., from existing phytochemical groups were reported as potential antibacterial. The predicted toxicity and drug-ability profiles also suggested that GC-MS-derived candidates displayed comparatively higher non-toxic profiles but lower drug-likeness profiles than existing groups. This integrative approach explores the phytochemical profiles of W. fruticosa responsible for antibacterial activity of the crude extracts and providing insights into in selection of lead antibacterial agent through cost-effective computer-aided drug design platform to accelerate antibacterial drug discovery with higher chance of experimental success.

GC-MS Analysis of Chemical Constituents in Water and Methanol Crude Extracts of Red Sea Soft Coral Xenia macrospiculata Gohar, 1940

Soft corals are marine invertebrates known to be a prolific source of marine natural products. The genus Xenia is a rich source of bioactive compounds including terpenoids, steroids, saturated, unsaturated and poly unsaturated fatty acids. The water and methanol solvent extracts of soft coral Xenia macrospiculata Gohar, 1940 (X. macrospiculata) were screened for the novel chemical constituents using gas chromatography–mass spectroscopy (GC-MS). In the water extracts, seventeen compounds were identified including monounsaturated fatty acids (35.29%), saturated fatty acids (23.52%) followed by unsaturated fatty acids (5.88%), poly unsaturated fatty acid (5.88%), sesquiterpenoids (5.88%), aromatic compounds (5.88%), Alcohols (5.88%), thio compounds (5.88%) and pleuromutilin derivatives (5.88%). In methanol extract thirty compounds were identified, among which 30% are the poly unsaturated fatty acids (PUFA) followed by monounsaturated fatty acids (13.33%), unsaturated fatty acids (13.33%), saturated fatty acids (13.3%), sesquiterpenoids (10%), alcohols (6.66%), oxygenated heterocyclic compounds (3.33%), steroid (3.33%), organo-fluro compounds (3.33%) and aldehyde derivatives (3.33%). The GC-MS screening of water and methanol extracts of X. macrospiculata revealed the presence of several novel bioactive compounds. Fatty acids are potential nutraceutical compounds playing vital role in preventing the risk of cardiovascular disorders and fatty liver. In addition, these compounds also showed potential antioxidant activity, antimicrobial, antineoplastic, ichthyotoxic, cytotoxic, HIV-inhibitory, anti-inflammatory activity and 5α reductase inhibitory activity.