Biology, Medicine, & Natural Product Chemistry (E-Journal - Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity)
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In silico Toxicity Prediction of Ethanol Extract of Cola rostrata (K. Schum.) Epicarp
Full text linkAbstract. The ethanol extract of the epicarp of Cola rostrata fruit has been reported to possess notable pharmacological properties, including anticancer, anti-inflammatory and antidiabetic effects; however, its toxicological profile remains understudied. This study evaluated the metabolism, excretion and toxicity properties of Gas Chromatography-Mass Spectroscopy-identified phytochemicals from C. rostrata epicarp. In silico analysis and molecular docking of components of the extract were carried out using ADMETlab2.0 platform and Autodock4 tools. Visualization of molecular binding interactions was done using Discovery Studio-2020. Ten of the 48 compounds in the extract, including 1-(4-Methoxyphenylazo)-2-phenoxynaphthalene, Anthiaergostan-5,7,9-trien-14.alpha.,15.alpha.-diol and 2-Hydroxychalcone, were predicted to have high probability of inducing liver injury, oxidative stress and inhibiting cytochrome-P450 enzymes. Molecular docking revealed that 1-(4-Methoxyphenylazo)-2-phenoxynaphthalene binds strongly to NADH dehydrogenase 1 (-7.78 kcal/mol) and CYP2C19 (-9.93 kcal/mol), with the compound interacting with Thr301, Leu361 and Leu366 at the active site of CYP2C19. 2-Hydroxychalcone binds strongly to CYP2C19 (-8.07 kcal/mol) and to Na+/K+-ATPase (-7.49 kcal/mol), while, Anthiaergostan-5,7,9-trien-14.alpha.,15.alpha.-diol binds strongly to CYP2C19 (-9.56 kcal/mol) and CYP1A2 (-8.71 kcal/mol). The extract showed strong potential to induce toxic outcomes. The abundance of antioxidant phytosterols in the extract may counterbalance the potential toxicity. While C. rostrata holds therapeutic potential, molecular interactions of its phytochemicals highlight risks of toxicity
Eco-Friendly Biochar-Chitosan Coating for Controlled Nitrogen-Fe Release from Slow-Release Fertilizers
Full text linkThe development of slow-release fertilizers (SRFs) has gained increasing attention as an efficient approach to enhance nutrient utilization while minimizing nutrient losses and environmental impacts. In this study, biochar–chitosan composites were employed as encapsulating materials for urea and Fe to produce SRF beads. The beads were synthesized through ionic gelation in NaOH solution, followed by swelling tests and structural characterization using Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). The swelling analysis demonstrated that the most effective formulation was obtained from the composition containing 3 g of biochar and 3 g of urea, achieving the highest swelling capacity of 92% after 48 h. This result indicates that the biochar–chitosan matrix provides sufficient porosity and water affinity to support nutrient retention and release. FTIR spectra confirmed the presence of characteristic functional groups of biochar, chitosan, urea, and Fe, verifying the successful incorporation of all components into the composite beads. Furthermore, XRD analysis revealed a predominantly amorphous structure, as evidenced by broad peaks in the 2theta range of 20°–60°. However, sharp crystalline peaks were also observed at 2theta approximately 29.1° and 33.9°, corresponding to urea, and at 2theta approximately 40°, attributed to crystalline phases of urea and Fe. These results suggest that the structural configuration of the beads combines both amorphous and crystalline phases, which may contribute to controlled nutrient release behavior. Overall, the findings demonstrate that biochar–chitosan encapsulation is a promising strategy for developing efficient SRFs with enhanced swelling properties and structural stability, offering potential for sustainable agricultural applications
In Silico Exploration of Bioactive Compounds from Dracaena cochinchinensis as Potential Inhibitors of Streptococcus pyogenes Inosine-5'-Monophosphate Dehydrogenase (IMPDH)
Full text linkThe emergence of multidrug-resistant Streptococcus pyogenes presents a significant global health threat, demanding the urgent discovery of novel antibacterial agents. This study utilized a comprehensive in silico framework to investigate 17 compounds from the traditional medicinal plant Dracaena cochinchinensis as potential inhibitors of Inosine-5'-monophosphate dehydrogenase (IMPDH), a validated antimicrobial drug target. The workflow included predictive modeling of physicochemical properties, pharmacokinetics (ADME), toxicity profiles, and molecular docking simulations to elucidate binding affinities and interaction patterns within the enzyme's active site. Physicochemical analysis revealed that 11 of the 17 compounds exhibited drug-like properties. Molecular docking identified several ligands with high binding affinities, notably Isopimaric acid (-8.2 kcal/mol) and Cochinchinenene D (-8.1 kcal/mol), whose stability was mediated by interactions with key catalytic residues. ADMET predictions indicated that most compounds possess favorable pharmacokinetic profiles. Crucially, Isopimaric acid demonstrated a superior safety profile, with a high LD50 (5000 mg/kg), no predicted mutagenicity, and no risk of drug-induced liver injury (DILI). This computational investigation successfully identified Isopimaric acid as a standout candidate, and its combination of strong target affinity and a favorable ADMET profile positions it as a promising scaffold for the development of novel antibacterial agents against S. pyogenes. These findings provide a strong impetus for experimental validation
Nigella Sativa Oil Protects Against Aluminium Chloride-Induced Cognitive Impairment Via Modulation of Cholinergic Activity, Brain Neurotransmitter, and Oxidative Stress
Full text linkAlzheimer’s disease (AD) is a progressive neurodegenerative disorder characterized by cognitive decline and memory impairment, with no known cure. This study investigated the potential protective effects of Nigella sativa oil (NSO) on aluminium chloride-induced cognitive impairment in Wistar rats. Twenty-four rats were divided into four groups. Group I received 1 ml/kg of distilled water. Groups II-IV were administered aluminium chloride (100 mg/kg). Groups III and IV were co-treated with NSO at 1 ml/kg and 2 ml/kg, respectively. Neurobehavioral assessments (Morris water maze and Y-maze) were performed, followed by biochemical analysis of brain tissues. Aluminium chloride significantly (p < 0.05) impaired spatial learning and memory and decreased the percentage of alternation. It also significantly (p < 0.05) increased acetylcholinesterase level, glutamate concentration, and malondialdehyde level, and decreased antioxidant markers. Meanwhile, Nigella sativa oil (1 ml/kg and 2 ml/kg) significantly (p < 0.05) improved learning ability and spatial memory, and increased percentage alternation in the Y-maze test. Nigella sativa oil also significantly (p < 0.05) decreases acetylcholinesterase, glutamate, and malondialdehyde, and increases antioxidant biomarkers. This study showed that Nigella sativa oil can improve cognitive and spatial learning functions via modulation of cholinergic activity, brain neurotransmitters, and oxidative stress
Potential of Kedabu (Sonneratia ovata Backer) Fruit Juice Supplemented in Kombucha Beverage as Antibacterial Agent
Full text linkRiau Province has abundant natural resources of mangrove forests almost along the coast of Riau. Mangrove fruit can be developed into various processed foods, but processed foods derived from mangroves have not been widely developed and are of interest to coastal communities. Kombucha tea is a probiotic beverage produced through the fermentation of tea and sugar using a kombucha starter known as SCOBY (Symbiotic Culture of Bacteria and Yeast). The presence of sugar in kombucha colonies is a vital source of nutrition. Additionally, fruit juice can be incorporated to create variations of kombucha tea. Kedabu fruit (Sonneratia ovata B.), a native fruit of Riau Province, is recognized for its high carbohydrate content and secondary metabolites, which exhibit potential antibacterial properties. This research developed four formulations of kombucha tea, each with different concentrations of kedabu fruit juice (0%, 10%, 20%, and 30%). The study’s objectives were to formulate, evaluate the physicochemical properties and antibacterial activity of these formulations against Escherichia coli and Staphylococcus aureus. The organoleptic properties, alcohol content, pH, %TTA (Total Acidity Titratable), total LAB (Lactic Acid Bacteria), and yeast count were assessed during a 14-day fermentation period. The assay results indicated that the kombucha fruit kedabu tea formulation exhibited favorable organoleptic characteristics, a decrease in pH, an increase in %TTA, total LAB, and yeast count within the acceptable range defined by standards. Moreover, it displayed inhibitory activity against Escherichia coli and Staphylococcus aureus bacteria, falling within the weak to moderate categories
Antioxidant Activity Test of Ethanol Extract from The Leaves and Bark of Kapur (Dryobalanops aromatica) from Distillation Solid Waste Using the DPPH and ABTS Methods
Full text linkOne of the endemic plants of East Kalimantan, kapur (Dryobalanops aromatica) belongs to the Dipterocarpaceae family and is typically used by the locals for essential oils. Solid waste is only used as a natural fertilizer, while the leaves and bark of Kapur (Dryobalanops aromatica) are often only used for the essential oil extracted. Research on solid waste from distilling kapur (Dryobalanops aromatica) has never been done. This investigation aimed to find the possible concentration of secondary metabolite chemicals and antioxidants in the ethanol extract of solid waste from distilling Kapur leaves and bark (Dryobalanops aromatica). The ethanol extract of Kapur leaves and bark (Dryobalanops aromatica) will undergo phytochemical testing utilizing a qualitative test method to ascertain the presence of secondary metabolite chemicals. The ethanol extract of Kapur leaves and bark (Dryobalanops aromatica) will be tested for antioxidant activity against DPPH and ABTS free radicals using a UV Spectrophotometer. The results of the phytochemical analysis showed that the ethanol extracts from the leaves and bark contained alkaloids, flavonoids and tannin. Triterpenoids are only found in the bark extracts, while saponins and steroids are only found in the leaves extracts. Antioxidant activity of Dryobalanops atomatica extract showed that ethanol extract displayed an ability to inhibit DPPH free radical in both the leaves and bark ethanol extracts, with percentages of 83.24% and 94.91% at 25 ppm concentration, respectively. Antioxidant activity of Dryobalanops atomatica extract showed that ethanol extract could inhibit DPPH free radical in the leaves and bark ethanol extracts, with percentages of 83.24% and 94.91% at 25 ppm concentration, respectively. Antioxidant activity of Dryobalanops atomatica extract showed that ethanol extract display an ability to inhibit ABTS free radical with a percentage of 84.23% at 50 ppm concentration in the leaves extracts, followed by 82.62% percentage of inhibition at 100 ppm concentration. According to the findings of the study, post-distillation solid waste from Dryobalanops aromatica leaves and bark had the potential to develop as a natural antioxidant
Identification of Gamma-Aminobutyricacid (GABA) of Tempeh Made from Koro Kratok (Phaseolus lunatus) Bean and Beluntas (Plunchea indica) Leaves as Glucose Stabilizer
Full text linkThe tempeh available on the market is predominantly made from imported soybeans, but alternative formulations using locally sourced legumes, such as koro kratok (Phaseolus lunatus), have been explored. This study investigates the potential of koro kratok tempeh enriched with Plunchea indica (beluntas) leaves to improve its functionality. The study will evaluate gamma-aminobutyric acid (GABA) levels and physicochemical changes during fermentation. Tempeh was produced using different koro kratok-to-P. indica leaf ratios (100:0, 75:25, and 50:50). Key parameters observed included mycelium development and the content of fat, moisture, ash, protein, carbohydrates, and pH. Adding P. indica increased the fat content by 0.66–2.28%, the moisture content by 68.81–78.42%, and the ash content by 0.36–1.09%. Meanwhile, the protein content ranged from 6.62–8.87%, the carbohydrate content from 12.07–21.31%, and the pH between 4.21–4.25. The inclusion of P. indica also altered the profile of dominant volatile compounds. GABA was detected in all samples, and in vivo studies showed improved blood glucose levels and glucose tolerance in prediabetic rats. These results suggest that koro kratok tempeh enriched with P. indica leaves could be a promising functional food for regulating blood glucose
Antiinflammatory and Antipyretic Activities of Stem Extract and Fractions of Telfairia occidentalis in Rodents
Full text linkTelfairia occidentalis Hook (Family-Cucurbitaceae) is a vegetable employed in Ibibio traditional medicine for the treatment of various diseases such as malaria and fever among others. The stem extract of Telfairia occidentalis was investigated for antiinflammatory and antipyretic activities in rodents using various experimental models.The stem extract (200 –600 mg/kg) of T. occidentalis was investigated for antiinflammatory activity against carrageenin, egg albumin and xylene – induced edema models and antipyretic activity against D-amphetamine, 2,4-dinitrophenol and yeast-induced pyrexia models. The extract caused a significant (p<0.05 – 0.001) dose-dependent reduction of inflammation caused by different phlogistic agents used. These effects were comparable to those of the standard drug, (ASA, 100 mg/kg) used in some cases. The extract also exerted prominent inhibition of pyrexia on amphetamine and dinitrophenol-induced pyrexia (5 h). Inhibition was significant (p<0.05–0.001) from 3 to 5 h post- administration of extract and in a dose-dependent fashion. However, the stem extract did not affect yeast-induced pyrexia in mice. The anti-inflammatory and antipyretic effects of this plant may in part be mediated through the chemical constituents of the plant. The findings of this work confirm the ethnomedical uses of this plant to treat inflammatory and febrile conditions
Free Radical Scavenging and Total Antioxidant Capacity of Combined Methanol Leaf Extract of Solanum americanum and Polyalthia longifolia
Full text linkThe present investigation highlights the phytochemical composition and free radical scavenging activity of methanol leaf extract of Solanum americanum and Polyalthia longifolia. The fresh leaves of S. americanum and P. longifolia were air-dried, milled into powder and macerated into absolute methanol. The extract was subjected to phytochemical screening and in-vitro antioxidant activity which was compared with that of standard Ascorbic acid. The qualitative quantitative phytochemical screening results constitutes flavonoids (43.05 mg/g), phenols (71.93 mg/g), alkaloids (34.11 mg/g), terpenoids (18.09mg/g), saponin (5.47 mg/g) and tannins (26.17 mg/g) all of which are known for their therapeutic properties. The antioxidant activity was evaluated using the DPPH (2, 2-diphenyl-1-picrylhydrazyl), total antioxidant capacity (TAC) and FRAP (Ferric Reducing Antioxidant Power) assays, which showed significant percentage inhibition in dose dependent manner. The combined extract exhibited significant DPPH radical scavenging activity with an Ec50 value of 0.993µg/ml, highlighting their potent radical scavenging ability. Furthermore, the FRAP assay revealed a high reducing power in the highest concentration (800ug/ml) having 79.1 µMFe2+/g, suggesting effective electron donation capabilities. The total antioxidant capacity results obtained showed that the TAC for the extract was in the range of 0. 650 to 2.123 AAE (ascorbic acid equivalent) for the different concentrations used
Cytotoxicity and Isolation of Betullinic Acid from Anthonotha noldeae Stem Bark
Full text linkThe cytotoxicity and isolation of betullinic acid from Anthonotha noldeae stem bark were examined in this study. The stem bark was extracted using methanol (MeOH) via the cold maceration technique. The MeOH produced a crude extract of 125.18 g (6.78%), which was further divided into n-hexane, dichloromethane (DCM), and ethyl acetate (EtOAc) fractions with yields of 10.23%, 11.74%, and 12.22%, respectively. Cytotoxicity assays using brine shrimp lethality tests revealed that the DCM and EtOAc fractions exhibited substantial concentration-dependent toxicity, achieving 100% mortality at 500–1000 ?g/mL. The LC50 values for the DCM and EtOAc fractions were 16.33 ?g/mL and 28.64 ?g/mL, respectively. Column chromatography of the fractions led to the isolation of the compound M1 (5 mg), characterized using FTIR, 1H NMR, and 13C NMR spectroscopy. FTIR analysis identified functional groups consistent with carboxylic acids and alkenes, while NMR spectroscopy confirmed the presence of six methyl groups, vinyl protons, hydroxyl groups, and carboxyl functionalities. The compound was identified as the bioactive triterpene known as betulinic acid. The findings provide novel insights into the phytochemistry of Anthonotha noldeae, highlighting its potential as a source of bioactive compounds and application in traditional medicine