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Complex, kinetically stable emulsions with an average droplet size of 50–100 nm and a mean droplet diameter of 50–1000 nm is known as nanoemulsions. They are often referred to as tiny submicron, ultrafine, or finely dispersed emulsions; they have a tyndal effect and are transparent to the naked eye. Antimicrobial nanoemulsion is a type of o/w emulsion system that is stabilized by surfactants and alcohols that are used as co-surfactants. It is effective against a wide range of microorganisms, such as viruses (such as herpes simplex and HIV), fungi (such as Candida and dermatophytes), and bacteria (such as Escherichia coli, Salmonella, and Staphylococcus aureus). The nanoemulsion droplets were designed to fuse by electrostatic attraction and a thermodynamic mechanism with lipid-coated microorganisms. The active component and the trapped energy generated by the nanoemulsion break down the pathogen’s lipid membrane when a sufficient number of nanoparticles fuse with the pathogens, resulting in cell lysis and the eventual death of the invasion microorganisms. Because there is less surfactant in each droplet, the targeted bacteria become unstable without endangering the healthy cells, giving the nanoemulsions a safety margin. Nanoemulsion has many benefits, such as being clear, biocompatible, non-immunogenic, biodegradable, able to hold drugs, release them slowly and steadily, being nanometrically small, having a large surface area, being easy to make, and being thermodynamically stable.

Many Ruellia species have been utilized in traditional medicine and despite the prevalent use of Ruellia tweediana in folk medicine, its antioxidant potential and polyphenol content have not been investigated. Therefore, the present study aimed to explore the medicinal value of R. tweediana by evaluating its total phenolic (TPC) and flavonoid contents (TFC), GC–MS analysis, antioxidant, antibacterial, and enzyme inhibition activities. The TPC and TFC of the extract/fractions were assessed using the Folin-Ciocalteu and aluminum trichloride methods, respectively. To determine the antioxidant capacity, five different assays were used: DPPH, ABTS, CUPRAC, FRAP, and metal chelating assays. The inhibition activity against α-glucosidase, α-amylase, cholinesterases, and lipoxygenase enzymes was also analyzed. Furthermore, GC–MS was performed for chemical screening of non-polar fraction. The methanol extract showed the maximum TPC (167.34 ± 2.23 mg GAE/g) and TFC (120.43 ± 1.71 mg RE/g) values among all the tested samples. GC–MS screening of the n-hexane fraction showed the presence of 40 different phytoconstituents. The results demonstrated the highest scavenging potential of the methanol extract against DPPH (167.79 ± 2.75 mg TE/g) and ABTS (255.32 ± 2.91 mg TE/g) radicals, as well as the metal-reducing capacity measured by CUPRAC (321.34 ± 3.09 mg TE/g), FRAP (311.32 ± 2.91 mg TE/g), and metal chelating assay (246.78 ± 10.34 mg EDTAE/g). Notably, the n-hexane fraction revealed the highest α-glucosidase and α-amylase inhibition activity (186.8 ± 2.84 and 179.7 ± 4.32 mg ACAE/g, respectively) while methanol extract showed highest acetylcholinesterase and butyrylcholinesterase inhibition activity (198.6 ± 3.31 and 184.3 ± 2.92 mg GALE/g, respectively). The GC–MS identified Lupeol showed best binding affinity with all docked enzymes as compared to standard compounds. The presence of bioactive phytoconstituents showed by GC–MS underscores the medicinal importance of R. tweediana, making it a promising candidate for natural medicine.

Hippuric acid is a biotransformation product in humans which is excreted through urine. Dietary intake of phenolic compounds increases its concentration in urine. Hippuric acid is experimentally proved to be a regulator of calcium oxalate super saturation in human urine and has a solvent effect on oxalate salts. Non-steroidal anti-inflammatory drugs (NSAIDs) are widely used analgesics employed in associated renal colic of urolithiasis. The objective of the present study was to chemically link hippuric acid through anhydride linkage to various NSAIDs to synthesize potential mutual prodrugs for urolithiasis and associated renal colic. Hippuric acid was linked to eleven NSAIDs through anhydride linkage by first synthesizing hippuryl chloride using oxalyl chloride as chlorinating agent, followed by its reaction with sodium salts of NSAIDs. Structures of obtained compounds were elucidated using UV spectrophotometry, FTIR spectrometry, 1H NMR and C-13 NMR spectrometry. Synthesized compounds were evaluated for in vitro antioxidant, in vivo acute toxicity, in vivo antiurolithic, in vivo analgesic and in vitro hydrolysis studies. Molecular docking analysis on TNF-α and COX-2 was carried out to determine target protein binding. Synthesized compounds showed stability at acidic pH which indicate potential gastro protective effect of synthesized conjugates. Compounds P9 an P6 showed maximum in vivo antiurolithic activity while P9 and P8 showed maximum in vitro antioxidant activity. All the conjugates except P2 showed significant analgesic activity which show that conjugation of hippuric acid to NSAIDs did not result in loss of analgesic potential. Docking studies showed better affinity with TNF-α as compared to COX-2.

This research descibes a pioneering approach aimed at preparing zinc oxide nanoparticles (ZnO-NPs) with colchicine as the reducing and capping agent. Colchicine-loaded ZnO-NPs (CHZnO-NPs) were prepared by adding colchicine to the zinc sulfate heptahydrate solution. The CHZnO-NPs formulation was then characterized to determine the morphology, size, crystallinity, elemental composition and vibrational properties. Upon characterization, CHZnO-NPs were studied for their cytotoxic effect against the breast cancer cell line (MDA-MB-231). The successful biosynthesis of CHZnO-NPs was initially confirmed visually by the changes in the mixture color, from light-yellow to white cloudy. The best CHZnO-NPs formulation selected was F3, which possessed 10 mg/mL of colchicine. Formulation (F3) had the smallest mean particle diameter of 43.77 nm and the lowest zeta potential of −19.60 mV. It also had 92.21 ± 0.012 % encapsulation efficiency and 20.86 ± 0.005 % drug loading. Formulation (F3) displayed a hexagonal wurtzite structure with irregular morphology. The observation of colchicine peaks on the FTIR spectra of F3 proved the role of colchicine as a reducing and capping agent during the synthesis of ZnO-NPs. Besides, the in-vitro cell cytotoxicity study on the MDA-MB-231 cell line revealed a significant reduction in cell proliferation at the concentration of 25 μg of colchicine and F3. Further, studies on the cellular migration potential also demonstrated concentration-dependent activity. Overall, CHZnO-NPs were shown to be successfully synthesized via an environmental-friendly procedure and colchicine acted as a capping agent to regulate the particle size, and aggregation, in addition to its anticancer properties.

Variability of drug solubility in supercritical solvent was investigated theoretically in this study using multiple machine learning models. The method of supercritical preparation can be used to manufacture solid-dosage drugs with enhanced solubility which can increase drug bioavailability and efficacy. In this study, we applied bagging regression to three core models, namely SVM, KNN, and linear regression (LR) to predict the solubility and density of Hyoscine drug based on Temperature and Pressure parameters as inputs. The WOA optimization algorithm was used to tune hyperparameters, and the performance of these models was compared with r2, RMSE, MAE, and AARD% metrics. The results revealed that the BAG-KNN model outperformed the others in predicting solubility, with an r2 score of 0.989 and a low RMSE of 0.041. Also, the BAG-LR model had the highest AARD% value of 7.50974, indicating that it has higher average relative deviation from the actual density values. Overall, the bagging approach proved to be effective in improving the accuracy of the core models, and the WOA optimization algorithm was successful in fine-tuning their hyperparameters. These findings can have significant implications for the accurate prediction of chemical properties in various fields, such as drug discovery and material science.