Investigation of the Biological Activities and Characterization of Bioactive Constituents of Ophiorrhiza rugosa var. prostrata (D.Don) & Mondal Leaves through In Vivo, In Vitro, and In Silico Approaches

Abstract

Ophiorrhiza rugosa var. prostrata is one of the most frequently used ethnomedicinal plants by the indigenous communities of Bangladesh. This study was designed to investigate the antidiarrheal, anti-inflammatory, anthelmintic and antibacterial activities of the ethanol extract of O. rugosa leaves (EEOR). The leaves were extracted with ethanol and subjected to in vivo antidiarrheal screening using the castor oil-induced diarrhea, enteropooling, and gastrointestinal transit models. Anti-inflammatory efficacy was evaluated using the histamine-induced paw edema test. In parallel, in vitro anthelmintic and antibacterial activities were evaluated using the aquatic worm and disc diffusion assays respectively. In all three diarrheal models, EEOR (100, 200 and 400 mg/kg) showed obvious inhibition of diarrheal stool frequency, reduction of the volume and weight of the intestinal contents, and significant inhibition of intestinal motility. Also, EEOR manifested dose-dependent anti-inflammatory activity. Anthelmintic action was deemed significant (P < 0.001) with respect to the onset of paralysis and helminth death. EEOR also resulted in strong zones of inhibition when tested against both Gram-positive and Gram-negative bacteria. GC-MS analysis identified 30 compounds within EEOR, and of these, 13 compounds documented as bioactive showed good binding affinities to M3 muscarinic acetylcholine, 5-HT3, tubulin and GlcN-6-P synthase protein targets in molecular docking experiments. Additionally, ADME/T and PASS analyses revealed their drug-likeness, likely safety upon consumption and possible pharmacological activities. In conclusion, our findings scientifically support the ethnomedicinal use and value of this plant, which may provide a potential source for future development of medicines.

Natural based piperine derivatives as potent monoamine oxidase inhibitors: an in silico ADMET analysis and molecular docking studies

“…It was observed that two compounds 7 and 17c were found as significant hMAO-A inhibitors with IC 50 values 15.38 ± 0.071 µM and 16.11 ± 0.091 µM, respectively. The docking scores of the compounds 7 and 17c as − 9.72 and − 7.98 was also in agreement with the in vitro results [16,17]. However, the reference compound clorgyline and piperine showed hMAO-A inhibitory activity with IC 50 values of 18.74 ± 0.096 µM and 19.01 ± 0.031 µM, respectively.…”

Intervention in Neuropsychiatric Disorders by Suppressing Inflammatory and Oxidative Stress Signal and Exploration of In Silico Studies for Potential Lead Compounds from Holigarna caustica (Dennst.) Oken leaves

“…The anti-inflammatory activity of MEHC was assessed following injection of histamine into the plantar surface of the mouse hind paw [26]. Thirty min after the treatment mentioned in Section 2.3.3, histamine (1 mg/kg, in 1% Tween-80 with D.W) was injected (0.05 mL) in the sub-plantar area of the right paw of each mouse to induce acute inflammation, and micrometer slide calipers were used to measure the paw volume at 1-4 h. The inflammatory effect (% inhibition) of the MEHC was determined using the given expression: Free radical scavenging activity of MEHC was assessed using DPPH (1,1 Diphenyl-1-picrylhydrazyl) free radical, following the method of Braca et al [27].…”

“…Molecular docking study was made to reveal the possible mechanism of action of the selected compounds behind the biological activities of the MEHC against the respective enzymes/receptor for an anxiolytic, antidepressant, anti-inflammatory, and antioxidant activity. Docking experiments were performed using Glide standard precision docking, which was embedded in Schrödinger suite-Maestro v 10.1, as we described previously [26].…”

“…Moreover, forty phytocompounds were identified in MEHC using GC-MS analysis in our previous study [18]; from them, eleven major bioactive phytocompounds were selected for molecular docking study. In silico molecular docking is the most powerful computational tool which has been broadly used for the prediction of ligand-target interactions and to know the binding modes inside the binding pocket of proteins as well as to understand the possible molecular mechanism of various pharmacological responses [26]. Form this view, an in silico molecular docking study was carried out for a better understanding of the observed pharmacological activities and mechanism of action of MEHC, and an approach had taken to correlate these findings with the experimental results.…”

Bioactive Variability and In Vitro and In Vivo Antioxidant Activity of Unprocessed and Processed Flour of Nine Cultivars of Australian lupin Species: A Comprehensive Substantiation

“…Lupanine was reported to possess antioxidant (inhibition of lipid peroxidation), anti-cholinergic as well as antidiabetic activity by improving glucose homeostasis along with stimulating insulin secretion [41][42][43][44][45]. Researchers reported n-Hexadecanoic acid to have antioxidant, anti-inflammatory, hypocholesterolemic and cancer prevention activities [33], 9,12-octadecandionoic acid to have anti-inflammatory, antibacterial, hypocholesterolemic and hepatoprotective activities, 11-octadecenoic acid, methyl ester to have antioxidant and antimicrobial properties [46], methyl stearate to have anti-inflammatory, intestinal lipid metabolism regulation, nematicidal, antinociceptive, antioxidant and antifungal activities and 13-docosenamide to have antimicrobial activity [47,48]. Phenolics comprise a large group of vital antioxidant family present in Australian sweet lupin seeds which exists as phenolic acid (caffeic, p-coumaric, ferulic, rosmarincic, chlorogenic, vanillic, protocatechuic and p-hydroxybenzoic acid mainly), flavonoids (aglycone of luteolin, apigenin and diosmetin), flavonols (quercetin, rutin, kaempferol, myricetin and others), isoflavones (genistein derivatives, phytosterols) and flavones [10,49,50].…”