Journal of Saudi Chemical Society最新文献

{"title":"Isatin-based ibuprofen and mefenamic acid Schiff base derivatives as dual inhibitors against urease and α–glucosidase: In vitro, in silico and cytotoxicity studies","authors":"Saima Daud ,&nbsp;Obaid‐ur‐Rahman Abid ,&nbsp;Malik Saadullah ,&nbsp;M. Fakhar-e-Alam ,&nbsp;Simone Carradori ,&nbsp;Asma Sardar ,&nbsp;Basit Niaz ,&nbsp;M. Atif ,&nbsp;Susi Zara ,&nbsp;Muhammad Rashad","doi":"10.1016/j.jscs.2024.101905","DOIUrl":"10.1016/j.jscs.2024.101905","url":null,"abstract":"<div><p>α-Glucosidase and urease inhibitors have emerged as crucial for developing therapeutic drugs targeting diabetes and gastrointestinal disorders. This study reports on new series of ibuprofen and mefenamic acid Schiff base derivatives incorporating isatin as dual inhibitors of α-glucosidase and urease enzymes. These synthesized derivatives (7a-r) were structurally characterized by ¹H NMR, ¹³C NMR and HRMS (EI). Biological evaluation (IC₅₀) identified several derivatives <em>i.e.,</em> <strong>7a</strong> (urease = 17.37 ± 1.37 µM, α-glucosidase = 44.1 ± 1.15 µM), <strong>7j</strong>, (urease = 16.61 ± 1.37 µM, α-glucosidase = 81.2 ± 1.33 µM), <strong>7o</strong>, (urease = 18.63 ± 1.27 µM, α-glucosidase = 70.3 ± 1.14 µM), <strong>7r</strong> (urease = 11.36 ± 1.32 µM, α-glucosidase = 39.3 ± 1.17 µM), as dual inhibitors of urease (thiourea 21.37 ± 1.76 µM) and α–glucosidase (acarbose 375.82 ± 1.76 µM) enzymes. These bioactive derivatives were explored for cell viability studies against mononuclear cells revealing a good cytocompatibility. <em>In silico</em> molecular docking studies were also conducted to predict the binding mode of new derivatives with target enzymes that were found consistent with the results of <em>in vitro</em> research.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101905"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001005/pdfft?md5=952b67fae9df2f4ffe01394e8a08bf6d&pid=1-s2.0-S1319610324001005-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141702089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Furo[3,2-b]pyridine: Chemical synthesis, transformations and biological applications","authors":"Sumayya Akram ,&nbsp;Sana Aslam ,&nbsp;Nasir Rasool ,&nbsp;Matloob Ahmad ,&nbsp;Sami A. Al-Hussain ,&nbsp;Magdi E.A. Zaki","doi":"10.1016/j.jscs.2024.101906","DOIUrl":"10.1016/j.jscs.2024.101906","url":null,"abstract":"<div><p>The combination of heterocycles renders a new possibility to synthesize multicyclic compounds having improved biological activities. Furo[3,2-<em>b</em>]pyridine is a fused heterocyclic ring system comprising a furan ring attached at the third and second positions of pyridine. These heterocyclic compounds can be easily synthesized from versatile starting materials including pyridine, furan, benzofuran, and benzopyridine <em>via</em> cycloaddition, cycloisomerization, multicomponent, cross-coupling, and Dakin-type reactions by utilizing microwave, copper, and palladium based catalysts. Among the chemical transformations of furo[3,2-<em>b</em>]pyridine derivatives, the review covered acetylation, addition, condensation, chlorination, Suzuki coupling, Vilsmeier-Haack reaction, and nucleophilic substitution reactions. Furo[3,2-<em>b</em>]pyridine has attracted remarkable attention from researchers due to its wide range of pharmacological and biological applications as antibiotic, antiviral, antifungal, anticancer, inhibitors of nicotinic acetylcholine receptors, CLKs, e1F4A, DYRKIA, <em>α</em>-glucosidase and <em>β</em>-glucosidase. The purpose of the review is to discuss the chemistry of the title reported during 2019–2024.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101906"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001017/pdfft?md5=abd270b9f981be9d06a54b65ff4320e3&pid=1-s2.0-S1319610324001017-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141844985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green and rapid oxidation of aldehydes using a catalytic applications of Deep Eutectic Solvent","authors":"Bahareh Shokr Chalaki ,&nbsp;Najmedin Azizi ,&nbsp;Zohreh Mirjafary ,&nbsp;Hamid Saeidian","doi":"10.1016/j.jscs.2024.101915","DOIUrl":"10.1016/j.jscs.2024.101915","url":null,"abstract":"<div><p>The development of novel and environmentally friendly solvents for chemical reactions is a vital in the pursuit of sustainable chemistry. This study presents a sustainable and efficient protocol for the rapid oxidation of benzaldehyde derivatives in the presence of catalytic Deep Eutectic Solvent (DES) system to their corresponding benzoic acids. A novel ternary DES composed of Urea/ZnCl₂/HCl was synthesized using a combination of Urea, ZnCl₂, and HCl for the first time and employed as an environmentally friendly oxidation catalyst using H₂O₂ as an oxidant at 60 °C. Benzaldehyde derivatives with diverse range of functional groups and substitution patterns afforded remarkable results, as it achieved high to excellent yields of the corresponding benzoic acids within a remarkably short reaction time of only 50 min. This protocol offers several advantages over alternative methods, including high product yields, the elimination of toxic and hazardous solvents and catalysts, and straightforward experimental procedures. Furthermore, the synthesized DES excellent recyclability, allowing for its reuse up to five times without any significant loss of functionality. Moreover, the synthesized DES demonstrated exceptional recyclability, enabling it to be reused up to five times without experiencing any notable decline in its effectiveness or functionality.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101915"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001108/pdfft?md5=76436204bd498c241892ce822569aa6f&pid=1-s2.0-S1319610324001108-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141979794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation of carbon aerogel from waste newspaper for adsorption of antidiabetic drug residue from aqueous system","authors":"Aynun Nahar ,&nbsp;Md. Sahadat Hossain ,&nbsp;Arup Das ,&nbsp;Md. Ahedul Akbor ,&nbsp;Umme Sarmeen Akthar ,&nbsp;Md. Sha Alam ,&nbsp;Nigar Sultana Pinky ,&nbsp;Md. Atikur Rahman ,&nbsp;Mehedi Hasan ,&nbsp;Fariha Afrose","doi":"10.1016/j.jscs.2024.101924","DOIUrl":"10.1016/j.jscs.2024.101924","url":null,"abstract":"<div><p>In this study, the waste newspaper was utilized to prepare carbon aerogel (CA) for adsorptive removal of Metformin hydrochloride (MH) (antidiabetic drug residues) from the aqueous system. The prepared CA was characterized using Field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), and Brunauer-Emmett-Teller (BET) analyser. The MH adsorption was carried out using two types of water, one was laboratory-prepared distilled water and another was real river water. Although, optimum removal around 87 % was observed at pH 3, the removal efficiency at about 63 % estimated at neutral pH. In river water experiment, slightly lower rate of adsorption about 59 % was noticed. Nearly 61 % removal was found for 120 min and then no significant adsorption was found. The pseudo-second-order kinetics and Freundlich isotherm models presented a good interpretation of the adsorption experiment data. Physio-sorption was the primary mechanism of the MH adsorption was confirmed by Temkin and D-R isotherms studies. Regeneration studies demonstrated the removal stability of CA around 32 % until five cycles. An adsorption mechanism was also proposed for the removal of metformin hydrochloride using carbon aerogel.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101924"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001194/pdfft?md5=2578a0fefa39cff910276bc885e8cc7b&pid=1-s2.0-S1319610324001194-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142020902","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Infra-red assistance for durable multi-functional silk by in-situ clustering of nanopalladium: Antimicrobial, UV protection and self-cleaning","authors":"Omar M. Alatawi","doi":"10.1016/j.jscs.2024.101914","DOIUrl":"10.1016/j.jscs.2024.101914","url":null,"abstract":"<div><p>Herein, durable multi-functional silk is successfully prepared via in-situ clustering of nanopalladium, under the assistance of infrared irradiation. Whereas, the produced fabric acquired superior antimicrobial, UV-resistance and self-cleaning potentialities. Different instrumental analyses were performed, to reveal that; size average of nanopalladium was ranged in 8.6–21.4 nm. Additionally, increment in the nanopalladium concentration reflected in observable improvement of the mechanical properties, color strength and thermal stability. Yellowish degree was significantly increased from 22.36 for silk finished with 100 ppm of nanopalladium (silk-Pd-1) to 42.52 for silk finished with 300 ppm of nanopalladium (silk-Pd-3). Functional treatment of silk with higher concentrated nanopalladium exhibited the highest microbicide action even after 5 washing cycles, the microbial reduction percentage was evaluated to be 67 %, 65 % &amp; 70 % against <em>“St. Aureus</em>, <em>E. Coli</em> and <em>C. Albicans”</em>, respectively. Ultraviolet protective factor (UPF) was superiorly evaluated for silk-Pd-3 to be 98.1 and 40.4 before and after 5 washing cycles. The aid of nanopalladium for acquiring the prepared silk the self-cleaning property as add-function was approved via kinetic study to show that the prepared fabrics exhibited good self-cleaning character by successive in-clustering of nanopalladium, while, t_1/2 for dirt removal was 190.9 min.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101914"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001091/pdfft?md5=16cdc139a2a24a9982b971b4b8b1dd00&pid=1-s2.0-S1319610324001091-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fabrication of Bi2O3/In2O3 p-n heterojunction with enhanced photocatalytic activity by efficient interfacial charge transfer","authors":"Qin Qin ,&nbsp;Tian Xiao ,&nbsp;Xiaodong Zhu","doi":"10.1016/j.jscs.2024.101919","DOIUrl":"10.1016/j.jscs.2024.101919","url":null,"abstract":"<div><p>Facilitating the separation of photogenerated charges is a crucial process in photocatalytic degradation of pollutants. In this study, Bi₂O₃/In₂O₃ composites were prepared using a co-precipitation method and subsequently calcined at 400 ℃ for 1 h. The Mott-Schottky curves confirmed a p(Bi₂O₃)-n(In₂O₃) heterojunction was yielded. Due to the significant difference in Fermi levels between Bi₂O₃ and In₂O₃, an internal electric field was established at the interface, with field lines directed from In₂O₃ to Bi₂O₃. Under illumination, the excited electrons accumulated in the conduction band (CB) of In₂O₃, while holes gathered in the valence band (VB) of Bi₂O₃, promoting charge separation and enhancing quantum efficiency. The composite material exhibited the highest photocatalytic activity when the atomic percentage of Bi to In was 1:1, with the first-order reaction rate constant of BI-1 increasing to 0.0149 min⁻¹, which is 4.3 and 4.4 multiples higher than that of pure In₂O₃ and pure Bi₂O₃. Recycling experiments demonstrated that the photocatalytic composite possesses good reusability and structural stability.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101919"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001145/pdfft?md5=a6812a6dfdc54735aba5a0cc6589a639&pid=1-s2.0-S1319610324001145-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141953817","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Removal of fluoride ions from wastewater via simple low-temperature thermal decomposition-modified phosphogypsum","authors":"Yonglin Wu ,&nbsp;Jianjun Chen ,&nbsp;Hongpan Liu ,&nbsp;Yonglan Zong ,&nbsp;Jilai Zhang ,&nbsp;Tianguo Li ,&nbsp;Youbo Su ,&nbsp;Ming Jiang","doi":"10.1016/j.jscs.2024.101921","DOIUrl":"10.1016/j.jscs.2024.101921","url":null,"abstract":"<div><p>Modified phosphogypsum (PG) was prepared via low-temperature thermal decomposition to remove fluoride ions from wastewater. This study discussed the effect of heat treatment (pyrolysis temperature and time) and operating conditions (initial fluoride ions concentration, dosage, solution temperature, and initial pH) on fluoride ions removal efficiency. The results showed that PG was most successful in removing fluoride at 140 ℃ for 5 h. At an initial fluoride ions concentration of 100 mg/L, a dosage of 10 g/L, a solution temperature of 20 ℃, and strongly acidic (pH=2) and neutral (pH=7) environments, the fluoride removal efficiency of the PG reached 93.9 % and 66.7 %, respectively. In addition, when the initial fluoride ion concentration was reduced (25 mg/L), the heat-treated modified PG exhibited inadequate fluoride removal (&lt;40 %). Increasing the solution temperature and initial pH was not conducive to fluoride ions removal. SEM-EDS, TG-DTG, FTIR, XRD and XPS analyses showed that thermal decomposition at a low temperature transformed the calcium sulfate dihydrate (CaSO₄·2H₂O) in the PG into calcium sulfate hemihydrate (CaSO₄·0.5H₂O) with higher solubility, increasing the Ca²⁺ ions concentration in the solution and further removing the F^- ions via chemical precipitation. Quantitative X-ray diffraction (QXRD) analysis revealed that the concentration of CaSO₄·0.5H₂O in PG is highest when subjected to optimal heat treatment conditions (140 ℃ for 5 h). Therefore, simple low-temperature thermal decomposition treatment (140 ℃) reduced PG energy consumption and effectively removed fluoride ions from wastewater, achieving the purpose of “ waste-treating-waste”.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101921"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001169/pdfft?md5=075b3af24a9fc9a800f923498b0d5699&pid=1-s2.0-S1319610324001169-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141953818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthetic routes for N-arylation of carbazole derivatives and their applications as organic materials","authors":"Sobia Mukhtar ,&nbsp;Ayesha Rafiq ,&nbsp;Syed Ali Raza Naqvi ,&nbsp;Sana Aslam ,&nbsp;Matloob Ahmad ,&nbsp;Sami A. Al-Hussain ,&nbsp;Magdi E.A. Zaki","doi":"10.1016/j.jscs.2024.101927","DOIUrl":"10.1016/j.jscs.2024.101927","url":null,"abstract":"<div><p>Carbazole is a heterocyclic aromatic organic compound that has vast applications in pharmaceuticals, and in biological and material sciences. Carbazole derivatives show various biological activities such as antibiotic, anti-inflammatory, anti-tumor and anti-oxidant activities <em>etc</em>. Synthesis of <em>N</em>-arylated carbazoles has become a major area of interest for scientists due to their applications in organic light-emitting diodes, dye-sensitized solar cells, and other organic electronics. The <em>N</em>-arylated carbazoles have unique properties such as high thermal stability, wide band gap, and excellent electrical and optical properties. The methods used for the <em>N</em>-arylation of carbazoles include transition metal-catalyzed reactions and metal-free reactions. The most common and classical methods for the <em>N</em>-arylation of carbazoles are copper-catalyzed Ullmann coupling reactions, while palladium, nickel, and iron catalysts are also used. This review focuses on all the synthetic methods used for the <em>N</em>-arylation of carbazoles and their applications.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101927"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001224/pdfft?md5=8039eeafa4fb9e9017fa7366811f0015&pid=1-s2.0-S1319610324001224-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142097807","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical performance of cauliflower like binder-free magnesium-sulphide-electrodes for supercapacitor application","authors":"Sadaf Atta ,&nbsp;A. Rasheed ,&nbsp;A. Farid ,&nbsp;Misbah Yousaf ,&nbsp;A. Raza ,&nbsp;I.A. Khan ,&nbsp;Mohamed A. Ghanem ,&nbsp;Frank Marken","doi":"10.1016/j.jscs.2024.101904","DOIUrl":"10.1016/j.jscs.2024.101904","url":null,"abstract":"<div><p>Herein, magnesium sulphide (MgS) electrode material (EM) is deposited on nickel-foam (NF) placed at 16 and 17 cm away from the raw material by simple powder vapour transport method. The increasing source to substrate distance (SSD) not only changed the structural parameters but also changed the nanofibers to cauliflowers like surface morphology. The cauliflowers like MgS/NF EM exhibited high specific capacitance (6339 F/g) as compared to the specific capacitance (1677 F/g) of nanofibers like MgS/NF EM. The cauliflowers like EM is showed high energy density of 220–99 Wh/kg, power density of 250–2500 W/kg, equivalent series resistance of 0.95 O and capacitance-stability of 93 % even for 10,000 cycles. The increasing SSD is fruitful for the increment in diffusion rate as confirmed by shifting of electrochemical impedance spectrum to y-axis, Dunn’s model and power law simulations. The diffusive contribution is 88/82 % at 5 mV/s which become 63/50 % at 100 mV/s for the cauliflower/nanofibers like EM. Moreover, the cauliflowers like EM have both battery and capacitive nature as 0.5 &lt; b &lt; 1 predicted by power law simulations. Additionally, the configured asymmetric supercapacitive (ASC) device is presented the specific capacitance of 834 F/g, energy density of 354–247 Wh/kg and power density of 2625–26250 W/kg. The ASC device could maintain the Coulombic-efficiency of 99 % and capacitance stability of 93 % even for 10,000 cycles. The excellent pseudocapacitive behaviour of MgS/NF EM enables them to use in the lithium ion battery and supercapacitor devices.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101904"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000991/pdfft?md5=e084a1bfd44c1df6e507c252452be879&pid=1-s2.0-S1319610324000991-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141636969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, characterization, and molecular docking studies of novel hippuric acid anhydrides as potential antiurolithic, analgesic and free radical scavenging agents","authors":"Zahid Munawar ,&nbsp;Kashif ur Rehman Khan ,&nbsp;Humaira Nadeem ,&nbsp;Saeed Ahmad ,&nbsp;M Yasmin Begum ,&nbsp;Ayesha Siddiqua ,&nbsp;Huma Rao ,&nbsp;Muhammad Tariq Khan","doi":"10.1016/j.jscs.2024.101902","DOIUrl":"10.1016/j.jscs.2024.101902","url":null,"abstract":"<div><p>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 <em>in vitro</em> antioxidant, <em>in vivo</em> acute toxicity, <em>in vivo</em> antiurolithic, <em>in vivo</em> analgesic and <em>in vitro</em> 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 <em>in vivo</em> antiurolithic activity while P9 and P8 showed maximum <em>in vitro</em> 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.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 5","pages":"Article 101902"},"PeriodicalIF":5.8,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000978/pdfft?md5=2502a67c42378a90f69d9bfeec915db3&pid=1-s2.0-S1319610324000978-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141704968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}