Dehydrocostus lactone from the root of Ajuga integrifolia (Buch.-Ham. Ex D. Don): Quantitative determination and in- silico study for anti-breast cancer activity

Many biological activities were reported for the Ajuga species, specifically for Ajuga integrifolia and its synonyms. These include antioxidant, anti-inflammatory, antidiabetic, antibacterial, blood purifier effects, and anticancer activity. This study quantitatively determines dehydrocostus lactone (DHCL) from the root of Ajuga integrifolia and its in silico study for anti-breast cancer activity. Camag HPTLC was used for TLC – densitometric estimation of dehydrocostus lactone. Estrogen receptor alpha (ER?) protein (PDB ID: 3ERT) was selected for its involvement in cell proliferation within the breast cancer cell. Tamoxifen is a reference drug commonly used in hormonal therapy, and DHCL was used as a ligand. Molecular docking was performed using AutoDock Vina in PyRx v.0.8 to get the bestconformational pose for forming the expected receptor-ligand complex. The docking result visualization was performed using LigPlot v.1.4.5 software for 2D, and the interactive visualization in 3D was done using Biovia Discovery Studio software. The presence of DHCL in the root of A. integrifolia was not reported so far. DHCL content in the root of A. integrifolia was estimated to be 16.5 ± 0.25 mg/g of crude extract using the TLC- densitometric method. From the molecular docking study, DHCL was found to be a promising inhibitor for estrogen receptor interaction in the breast cell and can be selected for further in vivo research to develop an anti-breast cancer drug

Antioxidant Activity of Flavonoids and Phenolic Acids from Dodonaea angustifolia Flower: HPLC Profile and PASS Prediction

Background. Dodonaea angustifolia is a known medicinal plant across East Arica. The flower of D. angustifolia is not well investigated in terms of phytochemistry and biological activities. This study aims to investigate the presence of flavonoids and phenolic acids in the flower of D. angustifolia and its antioxidant activity. Methods. Preliminary phytochemical screening was carried out using the standard protocols. Antioxidant activity evaluation using DPPH assay and total phenol content (TPC) and total flavonoid content (TFC) determinations in the flower extract were compared with the values of the leaf extract. UHPLC-DAD analysis was managed to develop the profile of the flower extract. Prediction of biological activity spectra for substances (PASS) was done using an online server for antioxidant and related activities. Results. Preliminary phytochemical screening and TPC and TFC values confirmed the presence of flavonoids and phenolic acids. From the HPLC analysis of flavonoids, quercetin, myricetin, rutin, and phenolic acids such as chlorogenic acid, gallic acid, and syringic acid were detected and quantified. The biological activity spectrum was predicted for the detected and quantified polyphenols. Conclusions. D. angustifolia flower is a rich source of flavonoids and phenolic acids, which are extractable and can be checked for further biological activity. It was possible to identify and quantify phenolic compounds through HPLC analysis in the methanol extract of D. angustifolia flower. The PASS biological activity prediction results showed that there were stronger antioxidant activities for the identified flavonoids. Future work will emphasize the isolation and characterization of active principles responsible for bioactivity

Essential Oil Composition of Aerial Part of <i>Pluchea ovalis</i> (Pers.) DC., Silver Nanoparticles Synthesis, and Larvicidal Activities against Fall Armyworm

In this study, essential oil of the aerial part of Pluchea ovalis (POEO) was isolated and employed for the synthesis of AgNPs (POEO-AgNPs). Then, larvicidal activities of POEO and PEO-AgNPs were evaluated against the larvae of fall armyworm (FAW), Spodoptera frugiderda (J. E. Smith); (Lepidoptera: Noctuidae). The potential medicinal values of P. ovalis and the lack of scientific reports on the applications of essential oils and nanoparticles of the plant species from the ecology of Ethiopia motivated the authors to carry out this research activity. The hydrodistillation technique was used for the isolation of POEO. Characterization of samples was done using gas chromatography/mass spectrometry (GC/MS), ultraviolet–visible spectroscopy (UV–Vis), scanning electron microscope-energy dispersive X-ray spectroscopy (SEM-EDX), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and zeta nanoanalyzer instruments. GC/MS analysis showed that sesquiterpenes (91.27%) are the dominant chemical constituents of POEO. The characteristic UV–Vis spectra absorption of POEO-AgNPs is observed at 428 nm. SEM imaging reveals that POEO-AgNPs have a dominantly spherical shape. A strong peak of EDX at 3.0 keV shows the existence of Ag element in POEO-AgNPs. XRD analysis determines the diffraction peaks of POEO-AgNPs at 2θ of 38.2°, 44.1°, 64.6°, and 77.8° which are indexed to (111), (200), (220), and (311), respectively. The average particle size and surface potential of POEO-AgNPs are 132 nm and −64.7 mV, respectively. POEO-AgNPs were stored at room temperature and 4 °C and showed good stability for about 6 months without aggregation or dissolution. The larvicidal activity was tested at 500, 250, and 125 µg/mL of POEO solution and 100% (full strength = 0.083 g/mL), 50%, and 25% POEO-AgNPs solution against 2nd instar larvae of S. frugiderda for 3 consecutive days. LC50 and LC90 are determined as 154.88 and 11,749.00 µg/mL for POEO and 69.18 and 1318.26% for POEO-AgNPs solutions, respectively. This finding will benefit the applications of POEO and POEO-AgNPs for a sustainable eco-friendly crop pest management method

Flavonoids and Phenolic Acids from Aerial Part of <i>Ajuga integrifolia</i> (Buch.-Ham. Ex D. Don): Anti-Shigellosis Activity and In Silico Molecular Docking Studies

Shigellosis is one of the major causes of death in children worldwide. Flavonoids and phenolic acids are expected to demonstrate anti-shigellosis activity and anti-diarrheal properties. The aerial part of A. integrifolia is commonly used against diarrhea. This study aimed to identify flavonoids and phenolic acids responsible for this therapeutic purpose. Antioxidant activity, total phenol content, and total flavonoid content were determined. The antibacterial activity of the aerial part against Shigella spp. was also tested using the agar well diffusion method. HPLC analysis was performed using UHPLC-DAD for different extracts of the aerial part. Autodock Vina in the PyRx platform was used to screen responsible components. Ciprofloxacin was used as a reference drug. An enzyme taking part in pyrimidine biosynthesis was used as a target protein. Molecular docking results were visualized using Discovery Studio and LigPlot1.4.5 software. Antioxidant activity, total phenol content, and total flavonoid content are more significant for the aerial part of A. integrifolia. From HPLC analysis, the presence of the flavonoids, quercetin, myricetin, and rutin and the phenolic acids gallic acid, chlorogenic acid, and syringic acid were identified from the aerial part of A. integrifolia. Regarding the antibacterial activity, the aerial part shows considerable activity against Shigella spp. Binding energies, RMSD and Ki values, interaction type, and distance are considered to identify the components most likely responsible for the therapeutic effects and observed activity. Antioxidant activity, total phenol content, and total flavonoid content of the aerial part are in line with anti-shigellosis activity. The top five components that are most likely potentially responsible for therapeutic purposes and anti-shigellosis activity are chlorogenic acid, rutin, dihydroquercetin, dihydromyricetin, and kaempferol

Optimization, Identification, and Quantification of Selected Phenolics in Three Underutilized Exotic Edible Fruits Using HPTLC

This study aimed to investigate selected bioactive components in three underutilized wild edible exotic fruits (Syzygium guineense Wild. DC, Ziziphus spina-christi L., and Citrus medica L.), using high-performance thin-layer chromatography and ultraviolet-visible spectrophotometry (HPTLC-UV-Vis), treated under three drying conditions. Ultrasound-assisted extraction was used to extract the target bioactive components under specified conditions, i.e., time of 15 min, temperature of 35 °C, methanol and water 75/25, v/v, and fruit powder-to-solvent ratio of 1:15, w/v. The mobile phase ratio for rutin, kaempferol, myricetin, and quercetin was toluene/ethylacetate/methanol/formic acid at 20:12:8:4, whereas, for phenolic acids, the ratio was 10:15:10:5, respectively. The HPTLC plates were scanned to identify and quantify selected compounds (phenolic acids, quercetin, rutin, myricetin, and kaempferol) at their maximum optimized absorption wavelengths. The contents of target bioactive components ranged from 0.64 ± 0.19 mg/100 g for rutin to 320.04 ± 7.10 mg/100 g for chlorogenic acid. Based on the results of this investigation, the phenol content of freeze-dried fruit was significantly (p ≤ 0.05) higher than other drying methods. The calculated average limit of detections and quantifications ranged from 0.37 to 75 ng/spot to 2.5 to 250 ng/spot, respectively. The average recoveries were 99.91 ± 5.65% for quercetin and 99.08 ± 5.96% for rutin. Overall, the validated HPTLC method was simple, selective, sensitive, and stable for the simultaneous identification and determination of phenolic acids and flavonoids. As a result, this study revealed that the contents of phenolic acids and flavonoids in selected exotic edible fruits can be used as effective antioxidants