Pharmacological insights and prediction of lead bioactive isolates of Dita bark through experimental and computer-aided mechanism.

Dita bark (Alstonia scholaris (L.) R. Br.) is an ethnomedicine used for the management of various ailments. This study aimed to investigate the biological properties of methanol extract of A. scholaris bark (MEAS), through in vivo, in vitro and in silico approaches alongside its phytochemical profiling. Identification and nature of the bioactive secondary metabolites were studied by the established qualitative tests and GC-MS analysis. The antidepressant activity was determined by forced swimming test (FST) and tail suspension test (TST) in mice. The anti-inflammatory and thrombolytic effect was evaluated using inhibition of protein denaturation technique and clot lysis technique, respectively. Besides, computational studies of the isolated compounds and ADME/T analysis were performed by Schrodinger-Maestro (v11.1) software, and PASS prediction was conducted through PASS online tools. The GC-MS analysis revealed the presence of several secondary metabolites in MEAS. Treatment with MEAS revealed a significant reduction of immobility time in a dose-dependent manner in FST and TST. Besides, MEAS showed substantial anti-inflammatory effects at the higher dose (400 μg/mL) as well as revealed notable clot lysis effect as compared to control. In the case of computer-aided investigation, all compounds meet the condition of Lipinski's rule of five. PASS study also predicted for all compounds, and among these safe compound furazan-3-amine showed the most spontaneous binding energy for both antidepressant and thrombolytic activities, as well as 5-dimethylamino-6 azauracil, found promising for anti-inflammatory activity. Taken together, the investigation concludes that MEAS can be a potent source of antidepressant, anti-inflammatory, and thrombolytic agents

Antidiabetic, anti-inflammatory, anthelminthic, cytotoxic, thrombolytic, antidiarrheal, and antipyretic activity of Dipterocarpus turbinatus leaves : in vitro, in vivo and computational insights

Background: Dipterocarpus turbinatus is a well-known ethnomedicinal plant species. Traditionally, it has been used to treat various medical ailments, including diabetes, diarrhea, tuberculosis, leprosy, ringworm, gonorrhea, ulcers, skin infections, wounds, and burns. This study aimed to assess the pharmacological properties of the methanol extract of D. turbinatus (MEDT) obtained from leaves, specifically focusing on its potential antidiabetic, anti-inflammatory, anthelminthic, cytotoxic, thrombolytic, antidiarrheal, and antipyretic properties. Methods: In this study, castor oil-induced diarrhea, gastrointestinal transit, and castor oil-induced enteropooling mice models were used to examine the antidiarrheal potential of MEDT. The alpha-amylase inhibition assay was employed to investigate its antidiabetic attributes. Moreover, human blood samples were analyzed using a rapid clot analysis method to evaluate their thrombolytic properties. Furthermore, the anti-inflammatory attributes of MEDT were assessed using bovine serum albumin and egg albumin denaturation assays. The Brewer's yeast technique was used to evaluate the pyretic potential of MEDT in mouse models. The chemical composition of MEDT was analyzed using gas chromatography-mass spectrometry (GC-MS) analysis. Furthermore, a docking analysis of selected phytochemicals in MEDT was performed using BIOVIA and Schrödinger Maestro (v11.1) methods. Additionally, the absorption, distribution, metabolism, and excretion/toxicity (ADME/T) properties of these compounds were investigated utilizing online tools. Results: The phytochemical analysis of the MEDT revealed the presence of diverse phytoconstituents such as flavonoids, alkaloids, glycosides, steroids, phytosterols, and resins. MEDT significantly inhibited alpha-amylase in a concentration-dependent manner, with a minimal inhibitory concentration required to inhibit 50% of enzyme activity (IC50) value of 38.40 μg/mL. Furthermore, MEDT significantly exhibited cytotoxicity, as evidenced by the median lethal dose (LC50) value of 439.25 μg/mL. Compared to streptokinase, the thrombolytic activity was statistically significant (p < 0.001). Additionally, the anthelmintic experiment revealed that exposure to MEDT led to a significant reduction in the duration of paralysis and the time to death in a dose-dependent manner. Furthermore, in pyrectic-induced mice, MEDT at 200 and 400 mg/kg doses resulted in a significant decrease in pyrexia. Moreover, GC-MS analysis enabled the detection of 31 compounds in MEDT. Interestingly, the binding predictions showed that 3-azabicyclo[3.2.2]nonane interacted favorably with 1A5H and 1ERR and that 8,11,14-Eicosatrienoic acid (Z,Z,Z)- showed potential interactions with 1SA0 which might mediate their anthelmintic and antidiabetic properties. Conclusion: Taking into account the above findings and the ethnomedicinal importance of D. turbinatus, further research is needed to isolate and describe the phytoconstituents that underpin its purported biological effects

Chemical profiles and pharmacological attributes of Apis cerana indica beehives using combined experimental and computer-aided studies

The current study sought to determine the anxiolytic, antidepressant, and anti-inflammatory properties of distilled water-soluble extract of beehive (WSE-BH). Gas chromatography–mass spectrometry (GC-MS) studies were used to characterize the chemical compositions obtained from beehives extracted in water and methanol (also fractions). The GC-MS analysis identified 19 compounds in WSE-BH, including high total phenol and flavonoid contents, compared with the methanol extract (21 compounds), ethyl acetate fraction (9 compounds), and CCl4 fraction (27 compounds). The oral administration of WSE-BH (50 and 150 mg/kg) showed significant anxiolytic activities assessed by time spent in (30.80% and 39.47%, respectively) and entry into (47.49% and 55.93%, respectively) the open arms of the elevated plus-maze (EPM). Only the 150 mg/kg dose resulted in a significant effect on the number of head-dipping events in the hole-board test (HBT) (40.2 ± 2.33; p < 0.01) vs. diazepam (64.33 ± 3.16; p < 0.001). Both the 50 and 150 mg/kg doses resulted in significant (p < 0.001) decreases in immobility in the forced swim test (FST) and tail suspensions test (TST), corresponding to the effect of fluoxetine. WSE-BH inhibited histamine-induced paw edema significantly beginning at 60 min, with the 150 mg/kg dose having the highest effect at 180 min. The current findings suggested that WSE-BH had anxiolytic, antidepressant, and anti-inflammatory properties

Fatliquor for fungus resistant leather-a sustainable ecofriendly approach

Surface-active softening agents, such as Fatliquors, have a significant impact on the leather industry as they enhance the physicochemical properties of leather. This study focuses on analyzing the synthesis, properties, characterization, and sulfonation of Swietenia mahagoni seed oil to determine its potential as a fatliquoring agent for leather. An investigation was conducted to verify the alteration of Swietenia mahagoni oil through the analysis of its properties before and after the sulfonation process. A scientific analysis was carried on the oil using GC-FID, revealing the presence of various unsaturated fatty acids such as linoleic, linolenic, oleic, palmitic, and arachidic acids. This demonstrates the sulfonating capability of this sky fruit seed oil. A fatliquor was created by sulfonating the oil, and the sulfonation was verified through Fourier Transform Infrared Spectroscopy (FTIR) and 1H Nuclear Magnetic Resonance (NMR) spectra. The prominent peak observed at 1209 cm-1 in the FTIR spectra indicated the stretching of S=O in both sulfate and sulfonate groups. The newly formed protons (H–C–S or H–C–O) showed signals between δ 4.09 and 4.29 ppm in the 1H NMR spectra, confirming the sulfonation of the fatliquor that was prepared. Moreover, the change in the melting point of sulfonated Mahogany oil from 40.8 °C to 48.1 °C suggests increased saturation levels. The fatliquor's emulsion stability was found to be at a satisfactory level. After conducting tests on the treated leather, the physical strength and morphological structure was analyzed using Field Emission Scanning Electron Microscopy (FE-SEM), the fatliquor improved the lubrication and strengthened the fibrous network structure of the leather, composed of thin and tight collagen fibers. The BOD5/COD ratio of the effluent from the experimental trial was determined to be 0.52, suggesting that the fatliquor developed is a biodegradable product. Finally, the antifungal capabilities of the fatliquor-treated leather were tested against four different fungus species: Aspergillus niger, Aspergillus flavus, Penicillium notatum, and Candida albicans, and the treated leather sample shown favorable antifungal activity