Nirma University Journals
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AN OVERVIEW OF MOLECULAR DOCKING: PRINCIPLE, AND ITS APPLICATION IN DRUG DISCOVERY
No full textStructure-based drug discovery utilises molecular docking as a computational tool to forecast the optimal binding conformation and affinity of specific ligands within the active site. Virtual screening, lead optimisation, and rational design of novel therapeutic agents are facilitated by this technique through the use of molecular recognition processes. Molecular docking is based on the principle of searching for suitable ligand orientations and conformations within the binding pocket using search algorithms, and then scoring functions are used to evaluate these poses in order to estimate binding energies derived from intermolecular interactions. The use of molecular docking in drug discovery is highly beneficial, particularly in structure-activity relationship studies, polypharmacology assessments, and pharmacophore modelling, but it presents challenges such as restricted receptor flexibility modelling and simplified treatment of solvent effects. These limitations are being increasingly addressed by the continuous evolution of computational methodologies, scoring functions, and integration with machine learning. This article provides a comprehensive overview of the molecular docking process, its underlying principles, and its broad applications in modern drug discovery pipelines.
Utilization of solar energy for the removal of Methylene Blue dye using the Fenton method
No full textEfficient treatment of industrial wastewater is essential to protect the natural water bodies and avoid harmful environmental effects. However, common wastewater treatment methods cannot completely degrade the refractory pollutants and only transfer them from one form to another. Recent work compared the effectiveness of Fenton and photo-Fenton processes in decolorizing Methylene Blue dye using solar light. The study analyzed the impact of various operating variables, such as H2O2 dosage, iron dosage, pH, and initial dye concentration. The results indicated that the photo-Fenton process was more effective than the simple Fenton process. The highest removal rate was achieved at an optimum dose of 40 mg/L of H2O2, 20 mg/L of iron dosage, dye concentration of 100 ppm, and pH 3 in the photo-Fenton process. For the Fenton process, the optimum conditions were 40 mg/L of H2O2, 40 mg/L of iron dosage, a dye concentration of 100 ppm, and pH 2. The study also suggested a possible mechanism for the photo-Fenton process. Overall, this research emphasizes the effectiveness of using direct sunlight, a renewable source of energy, for efficient wastewater treatment with minimal impact on the environment
Design and Analysis of Air Transportation Crate for Radio-Frequency Amplifier
No full textPackaging is the section that is very crucial to the safe shipping of released components from the business author to the customer without any damage, specifically in critical components that are dominant for whole systems and affect other deliverable products for continuous operation. A radio-frequency (RF) amplifier is one of the electronic devices weighing around 110 kg, used in MRI systems to amplify low-power to high-power output for generating RF waves and scanning patient images. The purpose of this study is to optimize the current RF amplifier packaging system (wooden crate) to reduce defects that damage the amplifier and alter its form, fit, and functionality. By replacing the traditional wooden crate with an impact-resistant material, this study aims to increase the dynamic strength of a shipping crate. A unique crate design that takes important handling and shipping factors into consideration is suggested. Finite element analysis (FEA) simulations are carried out to assess the suggested design\u27s performance, with an emphasis on drop tests conducted at different angles. The forces produced by possible drop occurrences during packaging, stacking, and transit are referred to as impact loads in the proposed crate design. The robustness of the proposed design is ensured by drop-test experiments
CHARACTERIZATION AND IDENTIFICATION OF TIAPRIDE HYDROCHLORIDE RELATED SUBSTANCE IMPURITIES BY UTILISING HPLC, LCMS, NMR TECHNIQUES
No full textTiapride hydrochloride, an antipsychotic agent widely prescribed for the treatment of schizophrenia and various neurological disorders, was subjected to impurity profiling using advanced analytical techniques, including HPLC, LC-MS, and NMR spectroscopy. A stability-indicating LC-MS method was successfully developed and validated for the quantitative determination of tiapride in its tablet dosage form. Forced degradation studies were conducted under hydrolytic, oxidative, thermal, and photolytic stress conditions to evaluate the drug\u27s stability. These studies led to the formation of three degradation products (DP1, DP2, and DP3), which were subsequently isolated using preparative HPLC. Structural elucidation of the impurities was performed using LC-MS, one-dimensional NMR (1H and 13C) techniques. The identified degradation products were: DP1 – N-(2- (ethylamino) ethyl)-2-methoxy-5-(methylsulfonyl) benzamide, DP2 – 2-methoxy-5- sulfonylbenzoic acid, DP3 – N-[2-(diethylnitroxyl) ethyl]-2-methoxy-5- (methylsulfonyl)benzamide (tiapride N-oxide). The validated LC-MS method exhibited excellent selectivity, specificity, accuracy, precision, and robustness for impurity detection in tiapride formulations. This comprehensive study provides critical insights into the degradation behavior of tiapride and contributes to ensuring the long-term safety and quality of both the active pharmaceutical ingredient (API) and its finished dosage forms. These findings serve as a valuable reference for future formulation development and stability studies of Tiapride-containing products
DEVELOPMENT & VALIDATION OF STABILITY INDICATING HPLC METHOD FOR ESTIMATION OF POLMACOXIB IN SOLID DOSAGE FORM AND APPLICATION TO DEGRADATION STUDY
No full textStability indicating assay method is reported for determination of polmacoxib from its capsule formulation. The polmacoxib is relatively a new molecule and very few analytical methods have been reported for its determination from biological fluid. Hence, a new simple, accurate, rapid and selective high-performance liquid chromatographic method has been developed and validated. The method was applied for stress degradation study of the drug. The separation of analyte and degradation products were obtained on Inertsil ODS 3V (250mm × 4.6mm), 5μm column, using the gradient elution of ammonium acetate buffer (Mobile Phase - A) and acetonitrile (Mobile Phase - B), with a flow rate of 1.5 mL/min. The eluent was monitored at 240 nm and the total run time was 28 min. Retention time of polmacoxib was found to be 10.8 min. Force degradation of polmacoxib was carried out under acidic, basic, oxidative, thermal, photo and humidity conditions. Polmacoxib has been found to degrade in selected oxidative degradation conditions. The developed method was validated for various parameters like system suitability, specificity, linearity, accuracy, precision, robustness, ruggedness as per ICH guidelines. The linear regression analysis data for the calibration plots showed a very good linear relationship within concentration range of 50 – 150 μg/mL with the linearity equation Y = 19.658x + 3.434 (r2 = 0.999). The method was identified as sufficiently specific to separate degradation products from the main analyte. The method had proven its potential for its application in routine estimation and stability study of polmacoxib
PHYTOCHEMICAL COMBINATION THERAPY FOR LIVER FIBROSIS: INVESTIGATING APOCYNIN AND URSOLIC ACID IN A CCL₄ INDUCED RAT MODEL
No full textBackground: Hepatic fibrosis is characterized by excessive accumulation of extracellular matrix, leading to progressive disruption of liver function. Activation of hepatic stellate cells (HSCs), often driven by oxidative stress, plays a central role in fibrogenesis. Apocynin and Ursolic acid are plant-derived compounds with reported antioxidant and antifibrotic properties. This study aimed to evaluate their individual and combined therapeutic effects in a carbon tetrachloride (CCl₄)-induced hepatic fibrosis rat model.
Objective: To investigate the potential synergistic antifibrotic effects of Apocynin and Ursolic acid in CCl₄-induced hepatic fibrosis.
Method: Thirty Wistar rats were divided into five groups: normal control, disease control (CCl₄), and three treatment groups receiving Apocynin (3 mg/kg), Ursolic acid (20 mg/kg), or their combination. Hepatic fibrosis was induced with CCl₄ (1 ml/kg, intraperitoneally, twice weekly for 3 weeks), followed by a 21-day oral treatment period. Biochemical parameters including SGPT, SGOT, ALP, GGT, hydroxyproline, total protein, and albumin were evaluated. Oxidative stress markers such as reduced glutathione, catalase activity, TBARS, and tissue hydroxyproline were measured. Histopathological analysis was performed using H&E and Masson’s trichrome staining.
Results: Both Apocynin and Ursolic acid significantly reduced serum and tissue hydroxyproline levels and improved antioxidant enzyme activity. Histological analysis indicated attenuation of fibrosis in treated groups. However, no significant synergistic enhancement was observed with the combination therapy.
Conclusion: Apocynin and Ursolic acid exhibit promising antifibrotic and antioxidant activity in a CCl₄-induced hepatic fibrosis model. Further studies with prolonged treatment durations are warranted to explore potential synergistic effects
THE MULTIFACETED ROLE OF MADHUCA LONGIFOLIA (MAHUA) IN TRADITIONAL MEDICINE AND SUSTAINABLE DEVELOPMENT: A REVIEW
No full textMembers of the Sapotaceae family, Madhuca longifolia (commonly called Mahua), are significant in indigenous knowledge systems and traditional Indian medicine. Originating from Sri Lanka and the Indian subcontinent, this tree is suited to regions that are prone to drought and grows well in a variety of ecological settings, including arid deciduous forests. It is prized for both its economic and therapeutic qualities. Traditional medicine has made use of the bark, leaves, flowers, fruits, seeds, and oil of the Mahua tree. Mahua is believed to have anti-inflammatory, antidiabetic, antimicrobial, hepatoprotective, antioxidant, anticancer, neuroprotective, and wound-healing properties. Flavonoids, saponins, tannins, terpenoids, glycosides, phenolic compounds, and fatty acids are among the many phytochemicals that are linked to these effects. While the seeds of mahua produce oil that has both industrial and edible uses, the flowers are also high in sugars and are used in traditional fermentation to make alcoholic beverages. M. longifolia is still underutilized in the contemporary food and pharmaceutical industries, despite its ethnomedicinal significance and encouraging bioactivities demonstrated in early research. Its taxonomy, distribution, traditional uses, phytochemical composition, and pharmacological characteristics are all summarized in this review. In order to fully realize its potential, it also emphasizes the necessity for additional research, including safety assessments, clinical trials, and biotechnological applications. Mahua might aid in the creation of novel medications, nutraceuticals, and functional foods with more extensive scientific verification. Its sustainable use and cultivation could also help preserve biodiversity and rural livelihoods
A Comprehensive Review of Hexapod Robots: Advancements, Challenges, and Applications
Full text linkHexapod robots, characterized by their six-legged locomotion inspired by the agility of insects, have gained significant attention in robotics research due to their versatility and adaptability in various environments. This review paper presents an in-depth analysis of the state-of-the-art in hexapod robot technology, exploring the evolution of their design, control strategies, locomotion capabilities, and diverse applications. The review begins by tracing the historical development of hexapod robots, from their early inception to recent advancements. It discusses the emergence of hexapod robots as a distinct class of robots and highlights key milestones in their evolution. The paper then delves into the fundamental mechanical design principles used in hexapod robots, examining various leg configurations, joint mechanisms, materials, and kinematic arrangements that have contributed to their enhanced mobility and stability
FROM SCIENCE TO SKINCARE: THE EFFICACY OF HYALURONIC ACID IN COSMECEUTICALS
Full text linkHyaluronic acid (HA), a naturally occurring biopolymer, has become a pivotal ingredient in the skincare industry due to its remarkable hydrating and moisture-retention properties. This review examines the chemical structure of HA, which allows it to bind large amounts of water, enhancing skin moisture and hydration. It explores cutting-edge formulation strategies in cosmeceuticals, with a focus on HA’s interaction with active ingredients like antioxidants and peptides. HA’s impact on collagen synthesis, skin elasticity, and inflammation reduction is thoroughly assessed, while also discussing the challenges posed by its instability and limited skin penetration. The review presents advanced solutions such as HA derivatives and nanotechnology, which aim to overcome these obstacles. Furthermore, the rising demand for HA-based products, driven by its well-documented anti-aging effects, is highlighted, reflecting the growing prominence of HA in skincare. Looking forward, future innovations are expected to unlock even greater potential for HA applications in the cosmeceutical sector
Application of Fishbone Diagram & Pareto Analysis for Improving Quality and Reliability of MCCB – A Case Study
Full text linkThe moulded case circuit breaker (MCCB) is employed in electrical systems to safeguard the circuit and its constituent parts from excessive current, which must be isolated when necessary to avoid overload or short circuit. Its trustworthiness is essential for ensuring that the electrical networks run smoothly. During the overload conditions of an MCCB, tripping characteristics should perform as per the applicable standard. Also, the operational efficiency of the MCCB with the accessories its compatible with is very crucial. An accessory – under voltage relay is used to protect the circuit from the damage done through the low-voltage condition. Here, the concerned MCCB was experiencing the thermal inconsistency under overload condition and operational inefficiency with the UVR. So, the objective of this research is to improve its overall quality and enhance its reliability by mitigating these issues. Hence to investigate the problem, cause and effect analysis is carried out and subsequently various tests have been carried out on a batch of MCCB. Further, pareto analysis is carried out and based on the data of test results and the main cause for the issue has been identified as the ‘trip plate not rotating sufficiently’. To resolve the issue, a modification i.e. removal of the slot in latch bracket has been done in the operating mechanism of the breaker. Hence, after modification in the latch bracket, constant trip travel is achieved. So, the modification resulted in achieving operational efficiency with UVR and improving the thermal characteristics of the breaker. Thus, the goal to mitigate the issues and achieve the improved performance from the circuit breaker is achieved by implementing a design change in the mechanism of the circuit breaker