ADMET and DMPK最新文献

{"title":"Often neglected steps in transforming drug solubility from single measurement in pure water to physiologically-appropriate solubility-pH.","authors":"Alex Avdeef","doi":"10.5599/admet.2626","DOIUrl":"https://doi.org/10.5599/admet.2626","url":null,"abstract":"<p><strong>Background and purpose: </strong>The solubility of weakly-ionizable drugs in pure water, S_w, is commonly measured. The pH-dependent properties of the saturated solutions can be surprisingly complex in subtle ways. This commentary examines the characteristics of such measurements through case studies of 32 free acids, bases, and ampholytes (including crocetin, glibenclamide, mellitic acid, quercetin, bedaquiline, brigatinib, imatinib, celecoxib, and lysine), using published water solubility data.</p><p><strong>Computational approach: </strong>Usually, in such saturated solutions, the ionic strength, <i>I</i> _w, is close to zero. When the pH is adjusted away from pH_w, the ionic strength increases, substantially in some cases (<i>e.g. I</i> _w > 10 M at pH 7.4 for mellitic acid and lysine). This change in ionic strength alters the activities of the species in solution. The corresponding equilibrium constants used to calculate the concentrations of these species must be adjusted accordingly. Here, the Stokes-Robinson hydration theory, slightly modified with Setschenow 'salting-out' constants to account for solvent interactions with unionized drugs, was used to estimate activity coefficients. The calculations were performed with the pDISOL-X program.</p><p><strong>Key results: </strong>Given reliably-measured values of solubility in water (<i>S</i> _w) and ionization constant (p<i>K</i> _a) of the drugs and assuming that the Henderson-Hasselbalch equation is valid, a method is described for (i) adjusting the measured <i>S</i> _w values at ionic strength, <i>I</i> _w ~ 0 M, to values expected at reference ionic strength, <i>I</i> _ref = 0.15 M (or at any other reasonable reference value), (ii) determining the water pH_w in saturated solutions of added neutral-form drugs; (iii) determining the intrinsic solubility, <i>S</i> ₀, both at <i>I</i> _w and <i>I</i> _ref, and (iv) using analytic-continuation in the equilibrium mass action model to deduce the solubility values as a function of pH, harmonized to a selected <i>I</i> _ref. For highly soluble drugs, whose <i>I</i> _w exceeds 0.15 M, the intrinsic solubility values appear to depend on the amount of excess solid added.</p><p><strong>Conclusion: </strong>This commentary re-emphasizes that measured <i>S</i> _w is not generally the same as <i>S</i> ₀. It is stressed that transforming measured drug solubility in pure water to an ionic strength level that is physiologically appropriate would better match the conditions found in biological media, potentially improving applications of solubility in pharmaceutical research and development.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 1","pages":"2626"},"PeriodicalIF":3.4,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11954141/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143750624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Gold nanoparticle-modified screen-printed carbon electrodes for label-free detection of SARS-CoV-2 RNA using drop casting and spray coating methods.","authors":"Salma Nur Zakiyyah, Nadya Putri Satriana, Natasha Fransisca, Shabarni Gaffar, Norman Syakir, Irkham, Yeni Wahyuni Hartati","doi":"10.5599/admet.2577","DOIUrl":"https://doi.org/10.5599/admet.2577","url":null,"abstract":"<p><strong>Background and purpose: </strong>This study aimed to explore the modification of screen-printed carbon electrode (SPCE) to produce an extensive conductive surface with gold nanoparticles (AuNPs) for the detection of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) ribonucleic acid (RNA).</p><p><strong>Experimental approach: </strong>The experiment was carried out using drop casting (DC) and spray coating (SC) methods. Au-S covalent interactions were formed between thiolated single-stranded DNA (ssDNA) and Au surface, which further hybridized with the target RNA to be detected using differential pulse voltammetry (DPV). Optimization of experimental conditions was performed using Box-Behnken design (BBD) on probe ssDNA concentration, probe ssDNA immobilization time, and target hybridization time. The morphology of the modified electrode was characterized using a scanning electron microscope, while the electrochemical behaviour was determined with DPV and electron impedance spectroscopy.</p><p><strong>Key results: </strong>The results showed that SPCE modification with AuNPs by DC produced a higher peak current height of 12.267 μA with an <i>R</i> _ct value of 2.534 kΩ, while SC improved the distribution of AuNPs in the electrode surface. The optimum experimental conditions obtained using BBD were 0.5 μg mL^-1 ssDNA-probe concentration, an immobilization time of 22 minutes, and a hybridization time of 12 minutes. The limit of SARS-CoV-2 RNA detection at a concentration range of 0.5 to 10 μg mL^-1 was 0.1664 and 0.694 μg mL^-1 for DC and SC, respectively. The T-test results for both methods show that the current response of target RNA with SPCE/AuNP by DC does not show the same result, indicating a significant difference in the current response between those two methods.</p><p><strong>Conclusion: </strong>SPCE/AuNP by DC is better than SPCE/AuNP by SC for immobilizing inosine-substituted ssDNA, which subsequently hybridizes with viral RNA, enabling label-free detection of guanine from SARS-CoV-2 RNA.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 1","pages":"2577"},"PeriodicalIF":3.4,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11954144/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143750518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Antimicrobial and ADME properties of methoxylated, methylated and nitrated 2-hydroxynaphthalene-1 carboxanilides.","authors":"Lucia Vrablova, Tomas Gonec, Tereza Kauerova, Michal Oravec, Izabela Jendrzejewska, Peter Kollar, Alois Cizek, Josef Jampilek","doi":"10.5599/admet.2642","DOIUrl":"https://doi.org/10.5599/admet.2642","url":null,"abstract":"<p><strong>Background and purpose: </strong>Many new compounds are being prepared to overcome the problem of increasing microbial resistance and the increasing number of infections.</p><p><strong>Experimental approach: </strong>This study includes a series of twenty-seven mono-, di- and trisubstituted 2-hydroxynaphthalene-1-carboxanilides designed as multitarget agents. The compounds are substituted with methoxy, methyl, and nitro groups, as well as additionally with chlorine, bromine, and trifluoromethyl at various positions. All the compounds were evaluated for antibacterial activities against Gram-positive and Gram-negative bacteria and mycobacteria. Cytotoxicity on human cells was also tested.</p><p><strong>Key results: </strong>Three compounds showed activity comparable to clinically used drugs. <i>N</i>-(3,5-Dimethylphenyl)-2-hydroxynaphthalene-1-carboxamide (<b>13</b>) showed only antistaphylococcal activity (minimum inhibitory concentration (MIC) = 54.9 μM); 2-hydroxy-<i>N</i>-[2-methyl-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (<b>22</b>) and 2-hydroxy-<i>N</i>-[4-nitro-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (<b>27</b>) were active across the entire spectrum of tested bacteria/mycobacteria, both against the sensitive set and against resistant isolates (MICs range 0.3 to 92.6 μM). Compound <b>22</b> was even active against E. coli (MIC = 23.2 μM). The active agents showed no <i>in vitro</i> cytotoxicity up to a concentration of 30 μM.</p><p><strong>Conclusion: </strong>Compounds with trifluoromethyl in the <i>meta</i>-anilide position, experimental lipophilicity expressed as log <i>k</i> (logarithm of the capacity factor) in the range of 0.31 to 0.34 and calculated electron σ parameter for the anilide substituent higher than 0.59 were effective. The investigated compounds meet the definition of Michael acceptors. Based on ADME screening, the investigated compounds <b>13</b>, <b>22</b> and <b>27</b> should have suitable physicochemical parameters for good bioavailability in the organism. Therefore, these are promising agents for further study.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 1","pages":"2642"},"PeriodicalIF":3.4,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11954145/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143750493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Naringin prevents heart mitochondria dysfunction during diabetic cardiomyopathy in rats.","authors":"Ilya B Zavodnik, Tatsiana A Kavalenia, Siarhei N Kirko, Elena B Belonovskaya, Irina A Kuzmitskaya, Yulia V Eroshenko, Elena A Lapshina, Vyacheslav U Buko","doi":"10.5599/admet.2571","DOIUrl":"https://doi.org/10.5599/admet.2571","url":null,"abstract":"<p><strong>Background and purpose: </strong>Cardiac mitochondria dysfunction plays a central pathophysiological role in the abnormal glucose metabolism in the heart during diabetic cardiomyopathy. The present study evaluated the effects of flavonoid glycoside naringin treatment on the interconnection between changes in cardiac mitochondria oxygen consumption, membrane potential and mitochondrial Ca²⁺ sensitivity during type 1 diabetes.</p><p><strong>Experimental approach: </strong>Type 1 diabetes was induced by an intraperitoneal injection of streptozotocin (40 mg/kg) in rats and islet morphology, glucose and insulin levels, changes in heart mitochondria respiration, membrane potential, spontaneous and Ca²⁺ - induced mitochondrial permeability transition (MPT) pore opening were evaluated.</p><p><strong>Key results: </strong>Diabetes resulted in typical signs of hyperglycaemia, which were accompanied by a rat cardiac mitochondria dysfunction, manifested by decreased <i>V</i> ₂ and <i>V</i> ₃ rates of oxygen consumption, while the initial membrane potential value remained unchanged. The rates of Ca²⁺-induced MPT pore opening and Ca²⁺-induced membrane potential dissipation in isolated mitochondria decreased under type 1 diabetes. The naringin treatment (40 mg/kg of the body weight, 4 weeks) partially recovered impaired cardiac mitochondria respiration, decreased spontaneous and increased Ca²⁺-induced MPT pore opening, improved pancreatic islets morphology and dystrophic changes, lowered glycated haemoglobin and blood plasma urea, and decreased the oxidative stress level with glucose or insulin concentrations remaining unchanged in diabetic animals.</p><p><strong>Conclusions: </strong>Naringin administration demonstrated beneficial effects during type 1 diabetes and represents a promising therapeutic (or nutraceutical) approach for diabetes treatment.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 1","pages":"2571"},"PeriodicalIF":3.4,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11954143/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143750614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical sensor based on multi-walled carbon nanotubes and two-dimensional zeolitic imidazolate framework nanosheets: Application in determining dacarbazine.","authors":"Somayeh Tajik, Hadi Beitollahi, Fariba Garkani Nejad, Zahra Dourandish, Samuel Adeloju","doi":"10.5599/admet.2617","DOIUrl":"https://doi.org/10.5599/admet.2617","url":null,"abstract":"<p><strong>Background and purpose: </strong>Cancer is a serious public health concern, hence the determination of dacarbazine as a significant chemotherapeutic agent is very important.</p><p><strong>Experimental approach: </strong>In the present work, we use a facile method to synthesize a nanocomposite of multi-walled carbon nanotubes (MWCNTs) and two-dimensional zeolitic imidazolate framework nanosheets (2D ZIF-L NSs). The resulting MWCNTs/2D ZIF-L NSs nanocomposite was characterized by field-emission scanning electron microscopy. The MWCNTs/2D ZIF-L NSs nanocomposite was subsequently used to modify a screen-printed carbon electrode (SPCE) to achieve an electrochemical sensing platform for the detection of dacarbazine.</p><p><strong>Key results: </strong>From cyclic voltammetric studies, it was found that the MWCNTs/2D ZIF-L NSs nanocomposite modified SPCE provided less anodic peak potential (700 mV) and higher anodic peak current (7.7 μA) for oxidation of dacarbazine when compared to other SPCEs. The MWCNTs/2D ZIF-L NSs/SPCE displayed good performance in the quantitative determination of dacarbazine. Under optimum conditions, the differential pulse voltammetry response exhibited a linear concentration range of 0.01 to 80.0 μM for dacarbazine with a relatively high sensitivity of 0.1384 μA μM^-1 and an estimated detection limit of 0.004 μM. The MWCNTs/2D ZIF-L NSs/SPCE sensor was also successfully applied to the determination of dacarbazine in injections samples of dacarbazine.</p><p><strong>Conclusion: </strong>This detection method can be used as a valuable tool in the analysis of pharmaceutical formulations to bring benefits in cancer treatment.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 1","pages":"2617"},"PeriodicalIF":3.4,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11954146/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143750516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Microwave coprocessing of modafinil with Gelucire^®: Thermal and compression characteristics.","authors":"Derar Omari, Assayed Sallam, Iyad Rashid, Shereen M Assaf, Faisal Al-Akayleh, Khaldoun A Al-Sou Od","doi":"10.5599/admet.2569","DOIUrl":"https://doi.org/10.5599/admet.2569","url":null,"abstract":"<p><strong>Introduction: </strong>Modafinil, a wakefulness-promoting agent, is primarily used to treat excessive daytime sleepiness associated with narcolepsy and fatigue. As a BCS class II drug, modafinil exhibits low solubility and high permeability, with its crystalline structure significantly impacting dissolution, bioavailability, and compressibility. This study explores the use of microwave energy to alter the crystalline structure of modafinil in the presence of Gelucire^® 48/16, aiming to improve its pharmaceutical properties.</p><p><strong>Methods: </strong>Modafinil was treated with microwave energy to form complexes with Gelucire^® 48/16, and the resulting formulations were compared to hot-melt complexes and physical mixtures. The structural and thermal properties of the complexes were characterized using X-ray powder diffraction (XRPD), differential scanning calorimetry (DSC), and Fourier-transform infrared spectroscopy. Compressibility and compactibility were evaluated through Kawakita model analysis and response surface methodology). The effect of microwaves on molecular interactions was further investigated using molecular modeling.</p><p><strong>Results: </strong>XRPD analysis revealed distinct crystalline patterns for microwave and hot-melt complexes compared to physical mixtures, with increased amorphousness observed through crystallinity, relative crystallinity, and relative intensity parameters. DSC thermograms indicated a reduction in melting endotherms and heat flow, suggesting structural changes due to complex formation. Compressibility and compactibility studies demonstrated optimal performance at low Gelucire^® content, with microwave-treated complexes exhibiting superior properties to untreated mixtures. Molecular modeling confirmed dipole-dipole interactions between modafinil and the hydrophilic portion of Gelucire^®.</p><p><strong>Conclusions: </strong>The study demonstrates that microwave energy effectively alters the crystalline structure of modafinil in the presence of Gelucire^® 48/16, enhancing its amorphousness, compressibility, and compatibility. These findings highlight the potential of microwave-assisted complexation as a novel approach to improve the pharmaceutical performance of BCS Class II drugs like modafinil.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 1","pages":"2569"},"PeriodicalIF":3.4,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11954140/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143750534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of bicarbonate buffer on artificial membrane permeation of drugs.","authors":"Shiori Ishida, Samuel Lee, Balint Sinko, Karl Box, Kiyohiko Sugano","doi":"10.5599/admet.2603","DOIUrl":"https://doi.org/10.5599/admet.2603","url":null,"abstract":"<p><strong>Background and purpose: </strong>The pH value of the small intestine is physiologically maintained by bicarbonate buffer (BCB). However, the effect of BCB on the membrane permeation of drugs has not been investigated. The purpose of this study was to investigate the effect of BCB on the passive membrane permeation of drugs.</p><p><strong>Experimental approach: </strong>The μFlux apparatus (pION Inc.) was used for permeability measurements. To avoid a pH change of BCB, a floating lid was newly developed for μFlux. The membrane filter was coated with a 10 % soybean lecithin-decane solution. The flux measurement was performed in an iso-pH condition (pH 6.5, BCB = 10 mM, buffer capacity (<i>β</i>)= 4.4 mM pH^-1). Phosphate buffer (PPB) with the same pH and <i>β</i> was used for comparison (PPB = 8 mM).</p><p><strong>Key results: </strong>The floating lid suppressed the pH increase to less than 0.1 for 120 min. The effective permeability (<i>P</i> _e) values of lipophilic weakly acidic and basic drugs were lower in BCB than in PPB (ketoprofen, naproxen, and propranolol). On the other hand, the <i>P</i> _e values in BCB and PPB were similar for unionizable drugs (caffeine and antipyrine) and hydrophilic weakly basic drugs (metoprolol and procainamide).</p><p><strong>Conclusion: </strong>Passive membrane permeation of lipophilic weakly acidic and basic drugs was slower in BCB than in PPB. This was suggested to be attributed to the slow neutralization rate of BCB, which affects the pH value adjacent to the membrane surface.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 1","pages":"2603"},"PeriodicalIF":3.4,"publicationDate":"2025-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11954139/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143750499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Natural polymer derivative-based pH-responsive nanoformulations with entrapped diketo-tautomers of 5-fluorouracil for enhanced cancer therapy.","authors":"Anbazhagan Thirumalai, Koyeli Girigoswami, Karthick Harini, Venkatakrishnan Kiran, Pazhani Durgadevi, Agnishwar Girigoswami","doi":"10.5599/admet.2554","DOIUrl":"https://doi.org/10.5599/admet.2554","url":null,"abstract":"<p><strong>Background and purpose: </strong>Despite significant advancements in cancer therapies, chemotherapeutics continue to be the mainstay for treating cancer patients, with 5-fluorouracil (5-FU) being commonly used for various cancers. However, its limited ability to penetrate cell membranes and its short half-life, caused by rapid metabolism, necessitate frequent administration of high doses to maintain effective therapeutic levels. This study aimed to synthesize oxidized sodium alginate (OSA) derivatives to create OSA nanoparticles loaded with 5-FU (OSANP@ 5-FU), promoting diketo tautomers, and evaluate their photophysical properties, release profile, and anticancer activity with minimal toxicity.</p><p><strong>Experimental approach: </strong>The investigation encompassed physicochemical characterization, encapsulation efficiency, 5-FU release kinetics at pH 2.2 and 7.4, cell viability assessment via MTT assay in V79 cells, and in vitro anticancer efficacy in the A375 cell line.</p><p><strong>Key results: </strong>Steady-state absorption and emission confirmed the presence of advantageous diketone tautomers of 5-FU, indicating radiative transitions from the second singlet excited state to the ground state (S2→S0) and the drug's encapsulation within the polymeric nanostructure. Dynamic light scattering revealed that OSA nanoparticles, initially 177.8 nm, grew to 226.6 nm after encapsulating 5-FU, retaining high zeta potential for stability. With a 68% encapsulation efficiency, in vitro studies showed 46 to 54 % of 5-FU released across different pH levels within 510 minutes.</p><p><strong>Conclusion: </strong>In acidic conditions, there is a greater release of 5-FU than neutral pH levels, indicating a pH-responsive release profile beneficial for cancer treatment, with the release mechanism of OSANPs following Fickian diffusion as identified by a Korsmeyer-Peppas mathematical model and the formulation showing improved therapeutic efficacy.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 1","pages":"2554"},"PeriodicalIF":3.4,"publicationDate":"2025-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11954142/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143750620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Flavonoids from <i>Clerodendrum</i> genus and their biological activities.","authors":"Meiske Naomi Mamuaja, Tati Herlina, Rymond Jusuf Rumampuk, Iman Permana Maksum, Yaya Rukayadi","doi":"10.5599/admet.2442","DOIUrl":"10.5599/admet.2442","url":null,"abstract":"<p><strong>Background and purpose: </strong>Many studies have been performed to identify new sources, their optimal isolation, and the biological activities of flavonoids due to nutraceutical, pharmaceutical, and cosmeceutical properties.</p><p><strong>Experimental approach: </strong>This review describes the method for flavonoid isolation and characteristic from the <i>Clerodendrum</i> genus and their biological activities with the indication of the most active ones. To perform a comprehensive review, a thorough literature review using Google Scholar, Scopus, and Science Direct was performed with keyword alone or in combination with other words.</p><p><strong>Key results: </strong>The isolation and identification of flavonoids from the Clerodendrum genus have revealed a variety of compounds using various methods. Various studies conducted <i>in vivo</i>, <i>in vitro</i> and <i>in silico</i> also reported bioactivities of these flavonoids.</p><p><strong>Conclusion: </strong>Several factors determine the flavonoid content in the <i>Clerodendrum</i> genus, among others, the different parts of the plant, extraction techniques, and solvent combination used. Isolated flavonoids also show significant biological activities, such as antioxidant, anti-inflammatory, antimicrobials, antidiabetic, anticancer, anti-tyrosinase, and neuroprotective agents.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"12 6","pages":"843-879"},"PeriodicalIF":3.4,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11661801/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Glyphosate-based herbicide metabolic profiles in human urine samples through proton nuclear magnetic resonance analysis.","authors":"Preechaya Tajai, Giatgong Konguthaithip, Thanyaphisit Chaikhaeng, Churdsak Jaikang","doi":"10.5599/admet.2476","DOIUrl":"10.5599/admet.2476","url":null,"abstract":"<p><strong>Background and purpose: </strong>Glyphosate-based herbicides, extensively utilized worldwide, raise concerns regarding potential human risks due to the detection of glyphosate (GLY) in human body fluids. This study aims to address critical knowledge gaps regarding whether GLY undergoes metabolism in humans, particularly considering the limited information available on human metabolism.</p><p><strong>Experimental approach: </strong>The study investigated GLY and its metabolites in eight amenity horticultural workers using proton nuclear magnetic resonance (¹H-NMR) data analysis. Multiple spot urine samples were collected before and after herbicide applications.</p><p><strong>Key results: </strong>Findings reveal the presence of GLY and its metabolites (AMPA, formaldehyde, sarcosine, glyoxylic acid, and methylamine). Results demonstrate a moderate correlation between median GLY concentration and its metabolites within the studied population.</p><p><strong>Conclusion: </strong>Persuasive evidence suggests the potential metabolism of GLY in humans. ¹H-NMR data analysis might be a promising technique for determining the metabolism of GLY in humans, offering valuable insights into urinary excretion patterns.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"12 6","pages":"957-970"},"PeriodicalIF":3.4,"publicationDate":"2024-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11661807/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}