Objective: The objective of the study was to develop, create, and optimize a microemulgel based on thujone oil for the treatment of psoriasis and bacterial skin infections. Using a Quality by Design (QbD) methodology, the objective was to improve topical drug administration by increasing spreadability, pH stability, and viscosity. Methods: A micro-emulgel was developed using thujone oil, liquid paraffin, Tween 80, Span 80, and Carbopol-934 as the gelling agent. The central composite design (CCD) was employed to optimize three independent formulation variables —oil concentration (4-12%), surfactant concentration (1.5–2.5%), and gelling agent concentration (1.5-2.0%) —with respect to three key responses—pH, viscosity, and spreadability. The optimized formulation (F2) was further evaluated for particle size, in vitro drug release, antimicrobial activity, and various physicochemical parameters. Analytical characterization was performed using Fourier Transform Infrared Spectroscopy (FTIR) and Gas Chromatography–Mass Spectrometry (GCMS) to confirm compatibility and identify the major constituents of thujone oil. Results: The more effective formulation (F2) has a spreadability of 7.98 g·cm/s, a pH of 6.76, and a viscosity of 4023 cps. A mean droplet diameter of 6.7 μm, which indicates micro-range globules, has been confirmed by particle size analysis. According to zero-order and Korsmeyer–Peppas kinetics, in vitro release tests demonstrated 60% drug release in 7 hours (R2 = 0.99). A zone of inhibition of 18.8 mm against E. coli was shown by antimicrobial assessment, which was similar to that of conventional medications. The existence of important bioactive substances, such as copaene, cedrol, and thujopsene, was verified by GC-MS analysis. Discussion: A thujone oil-based micro-emulgel with advantageous physicochemical characteristics, prolonged drug release, and significant antibacterial action was developed and refined during this study. As a topical therapy for skin infections, the improved formulation (F2) proved to be effective. The possible use of thujone oil micro-emulgels in dermatological treatment is supported by this study. Conclusion: The outcomes demonstrate that thujone oil-based microemulgel may deliver topical drugs in a stable, effective, and controlled manner. By effectively optimizing formulation parameters, the CCD method ensured the required spreadability, viscosity, and pH. Drug release was improved by smaller particle sizes, and antimicrobial testing revealed potent antibacterial action. The results demonstrate thujone oil's potential as a natural treatment for psoriasis and bacterial skin infections. However, a direct comparative assessment with simple emulsion and gel formulations was not performed and will be included in future studies to further substantiate the advantages of the micro-emulgel system.
Introduction: Thiadiazole derivatives have emerged as promising candidates for the development of novel antibacterial agents. The integrated QSAR–docking–ADME approach highlights thiadiazole derivatives as promising leads with stronger predicted activity than ciprofloxacin, warranting further In-vitro and In-vivo validation. Methods: A dataset of thiadiazole derivatives with known antibacterial activity was analyzed. 3D-QSAR using comparative molecular field analysis was performed to identify essential structural features. Docking studies were conducted to predict the binding interactions of selected thiadiazole derivatives with bacterial targets, focusing on key interactions, including hydrogen bonding and hydrophobic contacts. Results: The QSAR analysis revealed significant correlations between the structural features of the compounds and their antibacterial activity. The 3D-QSAR analysis, utilizing comparative molecular field analysis, provided insights into the three-dimensional structural requirements for optimal antibacterial activity. Molecular docking studies predicted binding interactions between the thiadiazole derivatives and their potential bacterial targets. The results indicated that ligands 4, 5, 9, and 10 exhibited strong binding affinities, ranging from -8.9 to -9.5 kcal/mol. Ligand 4 demonstrated the highest binding energy (-9.5 kcal/mol) by forming hydrogen bonds and hydrophobic interactions at the E. coli effector site. Discussion: Thiadiazole derivatives showed enhanced predicted antibacterial activity over ciprofloxacin, supported by QSAR correlations and docking interactions. Compounds 4, 5, 9, and 10 exhibited the strongest binding energies, highlighting the scaffold's novelty. Further in-vitro and in-vivo validation remains essential for translational application. Conclusion: The integrated QSAR, docking, and ADME analysis identified thiadiazole derivatives, particularly compounds 4, 5, 9, and 10, as promising antibacterial leads with higher predicted binding affinity than ciprofloxacin. While computational findings provide valuable insights, experimental in vitro and in vivo validation is essential to confirm their therapeutic potential.
Particle size has become a more prominent topic in multidisciplinary research in recent years, which aids in examining the relationship between the microscopic and macroscopic characteristics of different materials. Generally, acid/enzymatic hydrolysis, gamma irradiation, simple nanoprecipitation, ultra-sonication, and homogenization treatments are used to create starch nanoparticles. After starch is converted into nanoparticles, various features are impacted, including size distribution, morphological, rheological, and amylose content. It has been shown that starch nanoparticles are superior to natural starches; therefore, they have a wide range of applications as fillers, binding agents, and texture modifiers in various food products, as well as in the production of biocomposite films with improved barrier properties. The principal applications for starch nanoparticles include medication administration, nanoemulsions, and nano-starch-based composite films. There is a dearth of research on the effects of starch nanoparticle production on different native starch characteristics. In order to maximize the use of starch nanoparticles in food and nonfood applications, this study thoroughly reviews all factors pertaining to different starch characteristics and their nanoparticles. Particular attention is paid to the abstract review of the literature on starch, which gives a clear idea of the relevance of this study.
Introduction: The collision-induced light scattering (CILS) has been a considerable effort devoted to the comparison between experimental and theoretical interactions. Methods: Therefore, many methods have been applied in the theoretical calculations: one is based on an analytical expression of the motion of the pair. An analytical formula for the moment of the collision-induced scattering (CIS) over the Kihara potential is presented in this work. Due to its calculation yield, the proposed analytical formula can be used for the collision-induced polarizability in real gases. As far as we know, this work offers the first analytical formula for calculating the first two moments for the collision-induced scattering of gases by the Kihara potential. Also, the accuracy of the offered analytical expression is shown owing to its comparison with various results obtained using Lennard-Jones (LJ) (12-6) potential results. Kihara potential transformers LJ (12-6) potential when the d = 0 , potential parameter is equal to zero. Results: Therefore, the obtained results for the moment of the collision-induced scattering over the Kihara potential have been compared with the obtained results d = 0 . Discussion: The presented analytical formula for the first two moments of Collision- Induced Light Scattering (CILS) using the Kihara potential demonstrates good agreement with existing literature and Lennard-Jones (12-6)-based results across arbitrary temperatures. These findings indicate that the proposed analytical approach captures essential interaction features and can serve as a reliable alternative to purely numerical methods for modeling collision-induced polarizability in real gases. Conclusion: The calculations obtained are valid for the arbitrary values of temperatures, and the calculation results are in good agreement with the literature.
Introduction: Second-generation lipid-based nanocarriers called nanostructured lipid carriers (NLCs) have been developed to overcome the drawbacks of solid lipid nanoparticles (SLNs), specifically their low drug loading capacity and tendency for drug expulsion. This study focuses on the preparation techniques, comparative benefits, uses, and new difficulties of NLCs in the administration of pharmaceutical drugs. Methods: Literature from recent studies was analyzed to summarize the technological advances in NLCs design, including high-pressure homogenization, solvent injection, microemulsion, ultrasonication, and microwave-assisted synthesis. Emphasis was given to their comparative performance against conventional systems and their applications via multiple routes of administration. Results: NLCs exhibit superior drug loading, controlled release, enhanced stability, and improved bioavailability relative to traditional formulations such as tablets, emulsions, liposomes, and polymeric carriers. They have demonstrated significant potential in topical, oral, ocular, pulmonary, nasal, and parenteral delivery, as well as in cancer therapy, infectious diseases, neurological disorders, dermatological conditions, and gene delivery Discussion: NLCs offer several positive benefits, including skin hydration, occlusion, increased bioavailability, and skin targeting, which give them a significant advantage in the pharmaceutical and cosmetics markets. NLCs design optimization for particular therapeutic targets, stability enhancement, and the development of more effective manufacturing techniques are the main goals of ongoing research. Conclusion: NLCs represent a promising and versatile platform for drug delivery, combining biocompatibility with functional adaptability. However, long-term safety, regulatory harmonization, and clinical translation remain critical challenges that must be addressed to realize their full therapeutic potential
