In silico Molecular Docking Approach to Identify Potential Antihypertensive Compounds from Ajuga integrifolia Buch.-Ham. Ex D. Don (Armagusa).

Background: Ajuga integrifolia (Armagusa) is used as a decoction to treat high blood pressure and diabetes, widely in Ethiopia. Specific compounds for anti-hypertension activity were not identified so far. This study aims to provide a scientific basis for the therapeutic use of A. integrifolia as an antihypertension agent. Methods: In silico studies were used to evaluate the antihypertensive components of A. integrifolia. Flavonoids identified using HPLC analysis and iridoid glycosides isolated from A. integrifolia in this study and those isolated from synonyms (A. remota and A. bractosa) were considered in the molecular docking study. Interactions were studied by using Autodock vina (1.2) on PyRx 0.8 and visualizing in 2D and 3D using ligPlot+ and Discovery studio software. Activities like vasoprotection and druglikeness properties were predicted using online servers. Results: Flavonoids such as quercetin, myricetin, and rutin were identified and quantified by HPLC analysis from different extracts of A. integrifolia. Reptoside and 8-O-acetylharpgide isolated from the aerial part of A. integrifolia. The binding energies of all 17 candidates considered in this study range from -10.2 kcal/mol to -7.5 kcal/mol and are lower than enalapril (reference drug: -5.9 kcal/mol). The binding energies, in most case, constitute hydrogen bonding. Biological activity predicted using PASS test also showed that the flavonoids have more probability of activity than the iridoid glycosides. Druglikeness properties of the candidate molecules showed that most follow the Lipinski rule of five with few violations. Conclusion: Lower binding energies involving hydrogen bonding and predicted activities concerning hypertension confirm the traditional use of the aerial part of the medicinal plant concerned. Flavonoids: rutin, myricetin, quercetin, and kaempferol take the leading role in the antihypertensive activity of the aerial part of A. integrifolia. The iridoid glycosides studied are almost similar in their effect on their antihypertensive activity and still better than the reference drug.

Synthesis of carboxylated cellulose nanocrystal/ZnO nanohybrids using Oxytenanthera abyssinica cellulose and zinc nitrate hexahydrate for radical scavenging, photocatalytic, and antibacterial activities.

The extremely low antioxidant, photocatalytic, and antibacterial properties of cellulose limit its application in the biomedical and environmental sectors. To improve these properties, nanohybrides were prepared by mixing carboxylated cellulose nanocrystals (CCNCs) and zinc nitrate hexahydrate. Data from FTIR, XRD, DLS, and SEM spectra showed that, ZnO nanoparticles, with a size ranging from 94 to 351 nm and the smallest nanoparticle size of 164.18 nm, were loaded onto CCNCs. CCNCs/ZnO1 nanohybrids demonstrated superior antibacterial, photocatalytic, and antioxidant performance. More considerable antibacterial activity was shown with a zone of inhibition ranging from 26.00 ± 1.00 to 40.33 ± 2.08 mm and from 31.66 ± 3.51 to 41.33 ± 1.15 mm against Gram-positive and Gram-negative bacteria, respectively. Regarding photodegradation properties, the maximum value (∼91.52 %) of photocatalytic methylene blue degradation was observed after 75 min exposure to a UV lamp. At a concentration of 125.00 µm/ml of the CCNC/ZnO1 nanohybrids sample, 53.15 ± 1.03 % DPPH scavenging activity was obtained with an IC50 value of 117.66 µm/ml. A facile, cost-effective, one-step synthesis technique was applied to fabricate CCNCs/ZnO nanohybrids at mild temperature using Oxytenanthera abyssinica carboxylated cellulose nanocrystals as biotemplate. The result showed that CCNCs/ZnO nanohybrids possess potential applications in developing advanced functional materials for dye removal and antibacterial and antioxidant applications.

Experimental investigations on PVA/chitosan and PVA/chitin films for active food packaging using Oxytenanthera abyssinica lignin nanoparticles and its UV-shielding, antimicrobial, and antiradical effects.

This study investigated the effect of adding lignin nanoparticles (LNPs) derived from Oxytenanthera abyssinica via alkali-acid nanoprecipitation method to polyvinyl alcohol/chitosan (PVA/CI) and polyvinyl alcohol/chitin (PVA/CH) films for the active food packaging applications. Adding LNPs at concentrations of 1 % and 3 % improved the films' thermal stability and mechanical properties. The lowest water solubility and moisture content were observed in PVA/CI/LNPs films. LNPs exhibited effective 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activities, with the highest values observed in PVA/CH/LNPS and PVA/CI/LNPS films with values of 87.47 and 88.74 % respectively. The addition of LNPs also improved the UV-blocking abilities of the films. PVA/CH/LNP3 and PVA/CI/LNP3 have the smallest percentage transmission values of 3.34 % and 0.86 % in the UV range. The overall migration of dietary stimulants was lower in PVA/CI/LNPS and PVA/CH/LNPS films compared to PVA film. Antibacterial tests demonstrated the inhibitory capacity of the synthesized biofilms against both gram-positive and negative bacterial species, with the highest inhibitory value of 26 mm. The study suggests that PVA/CH/LNPS and PVA/CI/LNPS films have potential applications as active food packaging materials and can be explored in other potential applications such as drug delivery, tissue engineering, wound healing, and slow-release urea fertilizer development.

Plants and Plant-Derived Molecules as Natural Immunomodulators.

Background. Nowadays, the immunomodulatory properties of plants have been studied extensively with greater interest due to increasing awareness and combating the severity of immunomodulatory diseases. Scope and Approach. This paper highlights the efficacy of the available literature evidence on natural immunomodulators of plant origin and synthetic ones. In addition, several aspects of plants and their phytoconstituents responsible for immunomodulation have been discussed. Moreover, this review also discusses the mechanism involved in immunomodulation. Key Findings. One hundred fifty medicinal immunomodulatory plants are currently identified to find novel immunomodulatory drugs. Of these plants, the plant family Asteraceae also takes the first rank by offering 18 plant species (12%). Similarly of the plants studied so far, 40% belong to the Asteraceae family. Echinacea purpurea of this family is most known for its immunostimulating activity. The most prominent immune-active bioactive molecules are polyphenols, terpenoids, and alkaloids. Also, eight plant bioactive immunomodulators were checked for clinical trials and found in the market. These are six immunosuppressants, resveratrol, epigallocatechin-3-gallate, quercetin, colchicine, capsaicin, and andrographolide, and two immunostimulants, curcumin and genistein. Nowadays, there are a lot of polyherbal traditional medicinal products sold in the market and claimed to their immunomodulators. However, much work is still needed to find more active immunomodulatory agents. The mechanism by which immunomodulatory medicinal plant exert their effect is through the induction of cytokines and phagocyte cells and the inhibition of iNOS, PGE, and COX-2 synthesis.

Method optimization for the determinations of selected phytochemicals and antioxidant activities of wild Ethiopian Syzygium guineense fruit and seed under different drying conditions.

This study aimed to optimize the ultrasound-assisted extraction (UAE) parameters using response surface methodology (RSM) for the determination of ascorbic acid (AA), antioxidant activities/the half maximal effective concentration (EC50), total phenolic contents (TPC), and total flavonoid content (TFC) of Ethiopian wild Syzygium guineense fruit and seed processed under different drying conditions. The optimizations of the UAE methods for the determination of AA, antioxidant activities (EC50 values), TPC, and TFC were evaluated using response surface methodology (RSM). The extraction time of 15 min, the temperature of 35 °C, extraction solvent composition (methanol:water) of 75 to 25%, and solid-to-solvent ratios of 1:15 w/v were the optimum independent parameters. The experimental and the predicted data of TPC, EC50, and AA were in good agreement with the overall error below 0.01%. It also indicated a hypothesized distribution of predicted data fitted with experimental data. The average TPC, EC50, and AA content in S. guineense fruits and the seed varied from 581.25 ± 37.13 to 1917.40 ± 26.15 mg GAE/100 g, 4.02 ± 0.42 to 155.73 ± 5.11 mg/100 g, and 1.96 ± 0.02 to 0.94 ± 0.00 mg/mL, respectively. This study indicated that this underutilized wild fruit and its seeds can be an alternative source of AA and antioxidant compounds.

Targeted HPTLC Profile, Quantification of Flavonoids and Phenolic Acids, and Antimicrobial Activity of Dodonaea angustifolia (L.f.) Leaves and Flowers.

In East Africa, Dodonaea angustifolia (L.f.) is a well-known medicinal herb. Its leaf is primarily studied in light of its ethnobotanical use. In terms of phytochemistry and biological activity, its flower is not studied. In a prior study, our team looked into phytochemical screening, antioxidant activity, and total phenolic levels. This study aims to compare the profiles and biological activities of the leaf and flower samples of D. angustifolia and to present therapeutic alternatives. The leaf and flower sample powders were extracted with methanol using ultrasound-assisted extraction (UAE). HPTLC profile was obtained using CAMAG-HPTLC equipped with VisionCATS software. Antimicrobial agar well diffusion assay and minimum inhibition concentration (MIC) were determined. The leaf and flower extracts of D. angustifolia showed antibacterial activity with a MIC value of 20 µg/mL against Enterococcus faecalis and Listeria monocytogenes. Similarly, 40 µg/mL was found to be effective against Aspergillus flavus. D. angustifolia flower is a rich source of flavonoids and phenolic acids. Because of its antibacterial properties and profile, which are almost the same, the flower is emerging as a viable option for medicinal alternatives.

Flavonoids and Phenolic Acids from Aerial Part of Ajuga integrifolia (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.

Traditional and Phytochemical Bases of Herbs, Shrubs, Climbers, and Trees from Ethiopia for Their Anticancer Response.

Ethiopia is one of Africa's six plant-rich countries, with around 60% of the plants being indigenous and most of them having medicinal properties. 80% of people in the country use these plants as a primary health care system to tackle different diseases, including cancer. This review is aimed at summarizing the evidence gained from diverse MPs in Ethiopia that have been used ethnobotanically and ethnopharmacologically for treatment of cancer. The primary data sources were Google Scholar, Web of Science, Science Direct, Scopus, PubMed, and other electronic scientific databases. This literature review showed that there are around 200 MPs used as anticancer. Seventy-four herbs, 39 trees, 77 shrubs, and 17 weed/climbers belonging to 56 families have been identified for their ethnobotanical anticancer potential, and 31 species were recognized for their pharmaceutically anticancer activities. The reviewed data also indicated that many Ethiopian MPs had been used to treat breast, lung, blood, and skin cancers and other tumors. Besides, the collected data showed that the leaves (36.76%), roots (27.2%), bark (12.5%), stem (5.1%), and fruit (7.35%) of plants are commonly used for the preparation of anticancer remedies. Among the reported plant species, Euphorbiaceae (10.71%), Acanthaceae (7.14%), and Asteraceae (7.1%) are the most prominent plant families being used to treat cancer ethnobotanically. Phytochemicals such as flavonoids (like xanthone, indirubin, flavopiridol, and silybin), alkaloids (like taxol, vincristine, evodiamine, and berberine), and physalin B, D, and F steroids exhibited anticancer activity on various cancer cell lines. The crude extracts of Aerva javanica, Vernonia leopoldi, Withania somnifera, Kniphofia foliosa, and Catharanthus roseus were powerful anticancer agents with an IC50 value below 10 µg/mL. Although several Ethiopian plants possess anticancer potential, only a limited number of plants are scientifically studied. Therefore, more scientific studies on anticancer MPs should be carried out; it may lead to discovering and isolating cost-effective and safe anticancer drugs.