Background: In addition to their use as an edible oil and condiment crop, mustard and rapeseed (Brassica napus L., B. juncea (L.) Czern., B. nigra (L.) W.D.J.Koch, B. rapa L. and Sinapis alba L.) have been commonly used in traditional medicine for relieving pain, coughs and treating infections. The seeds contain high amounts of oil, while the remaining byproduct meal after oil extraction, about 40% of seed dry weight, has a low value despite its high protein-content (~85%). The seed storage proteins (SSP) 2S albumin-type napin and 12S globulin-type cruciferin are the two predominant proteins in the seeds and show potential for value adding to the waste stream; however, information on their biological activities is scarce. In this study, purified napin and cruciferin were tested using in silico, molecular docking, and in vitro approaches for their bioactivity as antimicrobial peptides. Materials and Methods: The 3D-structure of 2S albumin and 12S globulin storage proteins from B. napus were investigated to predict antimicrobial activity employing an antimicrobial peptide database survey. To gain deeper insights into the potential antimicrobial activity of these SSP, in silico molecular docking was performed. The purified B. napus cruciferin and napin were then tested against both Gram-positive and Gram-negative bacteria for in vitro antimicrobial activity by disc diffusion and microdilution antimicrobial susceptibility testing.

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Bridelia stipularis locally known as 'Harinhara' native in hill tract area. The plant is traditionally used in cough, asthma and catarrh by the Chakma ethnic people of Bangladesh. In this study, we investigated the toxicological, anti-allergic, neuropharmacological potential of leaves extract and profiling of its bioactive polyphenols by HPLC for in-silico molecular docking. Phytochemical test confirmed the existence of phytochemicals including tannin, flavonoid, saponin, alkaloid, glycoside etc. In toxicity study, the extract was safe up to 3 g/kg oral dose in mice. The studied showed no organ specific toxicity at 500 mg/kg oral dose. Anti-allergic activity performed by using TDI-induced allergic mice model. The extract significantly reduced the TDI-induced allergy like symptoms such as scratching, sneezing, swelling (P < 0.05). Additionally, the extract also ameliorated the leukocytes count in blood and bronchoalveolar lavage (BAL) fluid. The neuropharmacological activity test was conducted by following the open field method in mice model, at both doses of extract at 300 and 500 mg/kg showed mild CNS depressant effect. HPLC profiling identified the presence of seven phenolic compounds, among these rutin hydrate demonstrated the best docking score of -7.4 kcal/mol same as anti-allergic drug against (H1R). On the other hand exhibited rosmarinic acid and myricetin -7.9 and -7.8 kcal/mol against GABAA whereas standard CNS drug showed -7.7 kcal/mol. In conclusion, B. stipularis is safe and rich in different polyphenolic compounds which were found effective against diseases.

Background. Avicennia officinalis is a medicinal plant that has traditionally been used as a diuretic, anti-infective, and antiasthmatic. Our investigation was designed to explore the diuretic and laxative potentials of different fractions of this plant’s bark extract as well as the identification of possible drug candidates for the activity. Methods. Collected bark was extracted in ethanol and fractionated in different polar and nonpolar solvents, i.e., water, chloroform, ethyl acetate, and n-hexane. Phytoconstituents were identified following the published protocols and gas chromatography-mass spectrometry (GC-MS). In the diuretic test, Na+ and K+ ions were measured using a flame photometer whereas the Cl− ion content was measured by titrimetric method against AgNO3. In the laxative test, feces amount and consistency were also measured. Molecular docking analysis was conducted using the “Vina Wizard” program in PyRx-Python Prescription 0.8. Results. Phytochemical analysis indicated that alkaloids, tannins, flavonoids, saponins, glycosides, and terpenoids were detected in the most bioactive crude extracts, whereas alkaloids, terpenoids, saponins, and gums were found in bioactive n-hexane fraction and steroids, glycosides, and terpenoids were found positive in chloroform fraction. Almost all the fractions demonstrated a dose-dependent increment of stool production with a soft consistency; however, the chloroform fraction was found to be the most active ( p  < 0.001). The crude extract and n-hexane fractions significantly increased ( p  < 0.01) the urinary output at the dose of 200 and 400 mg/kg. The concentrations of Na+, K+, and Cl− in collected urine were found to be more compared with the control group. The GC-MS analysis identified seven compounds in bioactive n-hexane fraction (phenolic and ester-type mainly) whereas seven other compounds (acidic and ester-type mainly) were identified in chloroform fraction. In molecular docking, two drug candidates of this extract (2,4-bis(2-phenylpropan-2-yl)phenol and 2-[4-[2-(dimethylamino)-2-oxo-1,1-diphenylethyl]phenyl]-2-phenylacetic acid) showed excellent binding affinity with the receptor compared with furosemide. Conclusion. A. officinalis bark might be a potential source of bioactive compounds for treating hypertension, edema, and constipation.