Pub Date : 2025-02-11DOI: 10.1016/j.rechem.2025.102120
Yu-Qi Yang , Ying-Ying Fei , Ke-Yun Li , Mei-Zhen Ye , Song-Lin Wu , Wen Ying , Lin Chen , Shuai Huang , Xian-Li Zhou
As a new tumor therapy with low side effects, photodynamic therapy (PDT) uses a certain wavelength of light to excite the photosensitizer enriched in the tumor site to produce biological and chemical toxic ROS, thereby killing tumor cells and inhibiting tumor growth. In this article, we prepared new photosensitizers 3-hexyloxymethyl-3-devinylchlorin e4 disodium salt (CEFO) and 3-n-hexylaminomethyl-3-devinylchlorin e4 disodium salt (CEFN) to investigate its anti-cancer effects and inhibition mechanism on the murine mammary carcinoma 4T1 cancer cells in vitro and in vivo. The results indicate that CEFO, with high phototoxicity and low dark toxicity, is capable of inhibiting the proliferation and metastasis of 4T1 cancer cells.
{"title":"Design and synthesis of water-solube chlorin derivatives as photosensitizer for photodynamic therapy","authors":"Yu-Qi Yang , Ying-Ying Fei , Ke-Yun Li , Mei-Zhen Ye , Song-Lin Wu , Wen Ying , Lin Chen , Shuai Huang , Xian-Li Zhou","doi":"10.1016/j.rechem.2025.102120","DOIUrl":"10.1016/j.rechem.2025.102120","url":null,"abstract":"<div><div>As a new tumor therapy with low side effects, photodynamic therapy (PDT) uses a certain wavelength of light to excite the photosensitizer enriched in the tumor site to produce biological and chemical toxic ROS, thereby killing tumor cells and inhibiting tumor growth. In this article, we prepared new photosensitizers 3-hexyloxymethyl-3-devinylchlorin e4 disodium salt (CEFO) and 3-<em>n</em>-hexylaminomethyl-3-devinylchlorin e4 disodium salt (CEFN) to investigate its anti-cancer effects and inhibition mechanism on the murine mammary carcinoma 4T1 cancer cells in vitro and in vivo. The results indicate that CEFO, with high phototoxicity and low dark toxicity, is capable of inhibiting the proliferation and metastasis of 4T1 cancer cells.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102120"},"PeriodicalIF":2.5,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436683","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}
Pub Date : 2025-02-10DOI: 10.1016/j.rechem.2025.102117
Juan J.J. Carrizales-Castillo , María del Rayo Camacho-Corona , Eugenio Hernández-Fernández , Leonardo Adolfo Heredia-Núñez , Selene Lagunas-Rivera , Maria Yolanda Rios , Eder Arredondo-Espinoza , Francisco G. Avalos-Alanís
A series of 28 molecules were synthesized: ten β-hydroxyamides, nine oxazoline esters, and nine oxazoline hydroxamates. Of these compounds, 16 represent new molecules. All synthesized compounds were evaluated against four cancer cell lines (MCF7, PC-3, NCI-H460, and HT-29) and one normal cell line (Vero). The results demonstrated that compound 4h exhibited the highest activity, with an IC50 of 7.65 μg/mL (24.67 μM) in PC-3 cells, which were determined to be the most sensitive cell line to the compounds. Because of this, the PC-3 cell line, as well as the Vero cell line, was chosen to evaluate the eventual inhibition of the HDAC enzyme by the most active oxazoline and hydroxamate (4h and 5f, respectively) and to be able to analyze the possible mechanism of action exerted by these compounds. The inhibitory activity of HDAC produced by 4h and 5f in PC-3 cells was found to be greater than that shown by the reference drug Vorinostat. In contrast, in Vero cells, the reference drug showed greater inhibitory activity than compounds 4h and 5f. These results suggest that compounds 4h and 5f have greater selectivity towards HDAC cancer cells compared to normal growth cells; however, with less anticancer activity in vitro.
{"title":"Synthesis of oxazoline hydroxamates α,β-unsaturated: Cytotoxic evaluation and inhibitory activity in vitro of histone deacetylases","authors":"Juan J.J. Carrizales-Castillo , María del Rayo Camacho-Corona , Eugenio Hernández-Fernández , Leonardo Adolfo Heredia-Núñez , Selene Lagunas-Rivera , Maria Yolanda Rios , Eder Arredondo-Espinoza , Francisco G. Avalos-Alanís","doi":"10.1016/j.rechem.2025.102117","DOIUrl":"10.1016/j.rechem.2025.102117","url":null,"abstract":"<div><div>A series of 28 molecules were synthesized: ten β-hydroxyamides, nine oxazoline esters, and nine oxazoline hydroxamates. Of these compounds, 16 represent new molecules. All synthesized compounds were evaluated against four cancer cell lines (MCF7, PC-3, NCI-H460, and HT-29) and one normal cell line (Vero). The results demonstrated that compound <strong>4</strong><strong>h</strong> exhibited the highest activity, with an IC<sub>50</sub> of 7.65 μg/mL (24.67 μM) in PC-3 cells, which were determined to be the most sensitive cell line to the compounds. Because of this, the PC-3 cell line, as well as the Vero cell line, was chosen to evaluate the eventual inhibition of the HDAC enzyme by the most active oxazoline and hydroxamate (<strong>4</strong><strong>h</strong> and <strong>5f</strong>, respectively) and to be able to analyze the possible mechanism of action exerted by these compounds. The inhibitory activity of HDAC produced by <strong>4</strong><strong>h</strong> and <strong>5f</strong> in PC-3 cells was found to be greater than that shown by the reference drug Vorinostat. In contrast, in Vero cells, the reference drug showed greater inhibitory activity than compounds <strong>4</strong><strong>h</strong> and <strong>5</strong><strong>f</strong>. These results suggest that compounds <strong>4</strong><strong>h</strong> and <strong>5f</strong> have greater selectivity towards HDAC cancer cells compared to normal growth cells; however, with less anticancer activity <em>in vitro</em>.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102117"},"PeriodicalIF":2.5,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143421084","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}
Pub Date : 2025-02-10DOI: 10.1016/j.rechem.2025.102101
Divya Gairola , Amina Jega Yusuf
Brain cancer, particularly glioblastoma, represents a significant therapeutic challenge due to its aggressive nature and limited treatment options. The epidermal growth factor receptor (EGFR) has emerged as a crucial target for brain cancer therapy, as its irregular activation drives tumor growth, proliferation, and invasion. In this study, we explored the potential of bioactive compounds from the roots of Rhus cotinus (Syn. Cotinus coggygria) as EGFR inhibitors for brain cancer treatment. Through comprehensive phytochemical studies, nine compounds were isolated and characterized, including β-sitosterol, lupeol, oleanolic acid, apigenin, kaempferol, quercetin, di-galloyl, 1,2-di-O-galloyl-β-d-glucopyranosyl, and Quercetin-3-O-arabinogalactoside. Molecular docking studies were employed to investigate the binding interactions and ADMET profile of these compounds with the EGFR kinase domain. Notably, the natural compounds exhibited binding modes analogous to clinically approved EGFR inhibitors, engaging crucial residues such as Met769, Leu820, and Asp831 through hydrogen bonding and hydrophobic interactions. The docking scores of the compounds ranges from −9.0 to −7.4 kcal/mol with lupeol being the most active and Quercetin-3-O-arabinogalactoside being the least active. The ADME-Tox analysis of the compounds revealed favorable pharmacokinetic profiles and compliance with drug-likeness criteria for most compounds; selected compounds demonstrated good bioavailability and BBB permeability, while toxicity predictions highlighted risks such as hepatotoxicity, neurotoxicity, and immunotoxicity, thus providing a foundation for optimizing safety and therapeutic potential. These findings suggest the potential of R. cotinus root-derived compounds to modulate EGFR activity and inhibit its oncogenic signaling in brain cancer cells. While further experimental validation is necessary, this study highlights the therapeutic potential of natural products from R. cotinus roots as a valuable source of lead compounds for the development of novel EGFR-targeted therapies against glioblastoma multiforme.
{"title":"Structural characterization and in silico evaluation of bioactive compounds from Rhus cotinus (Syn. Cotinus coggygria) roots as potential EGFR inhibitors for brain Cancer","authors":"Divya Gairola , Amina Jega Yusuf","doi":"10.1016/j.rechem.2025.102101","DOIUrl":"10.1016/j.rechem.2025.102101","url":null,"abstract":"<div><div>Brain cancer, particularly glioblastoma, represents a significant therapeutic challenge due to its aggressive nature and limited treatment options. The epidermal growth factor receptor (EGFR) has emerged as a crucial target for brain cancer therapy, as its irregular activation drives tumor growth, proliferation, and invasion. In this study, we explored the potential of bioactive compounds from the roots of <em>Rhus cotinus</em> (Syn. <em>Cotinus coggygria</em>) as EGFR inhibitors for brain cancer treatment. Through comprehensive phytochemical studies, nine compounds were isolated and characterized, including β-sitosterol, lupeol, oleanolic acid, apigenin, kaempferol, quercetin, di-galloyl, 1,2-di-<em>O</em>-galloyl-β-<span>d</span>-glucopyranosyl, and Quercetin-3-<em>O</em>-arabinogalactoside. Molecular docking studies were employed to investigate the binding interactions and ADMET profile of these compounds with the EGFR kinase domain. Notably, the natural compounds exhibited binding modes analogous to clinically approved EGFR inhibitors, engaging crucial residues such as Met769, Leu820, and Asp831 through hydrogen bonding and hydrophobic interactions. The docking scores of the compounds ranges from −9.0 to −7.4 kcal/mol with lupeol being the most active and Quercetin-3-<em>O</em>-arabinogalactoside being the least active. The ADME-Tox analysis of the compounds revealed favorable pharmacokinetic profiles and compliance with drug-likeness criteria for most compounds; selected compounds demonstrated good bioavailability and BBB permeability, while toxicity predictions highlighted risks such as hepatotoxicity, neurotoxicity, and immunotoxicity, thus providing a foundation for optimizing safety and therapeutic potential. These findings suggest the potential of <em>R. cotinus</em> root-derived compounds to modulate EGFR activity and inhibit its oncogenic signaling in brain cancer cells. While further experimental validation is necessary, this study highlights the therapeutic potential of natural products from <em>R. cotinus</em> roots as a valuable source of lead compounds for the development of novel EGFR-targeted therapies against glioblastoma multiforme.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102101"},"PeriodicalIF":2.5,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387457","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}
During the last few decades, the use of nanoparticles due to their unique properties, biodegradability, biocompatibility, and nanometer size to reduce the side effects of drugs, especially in cancer treatment, has been considered. Chitosan nanoparticles, as biopolymers, are known as drug carriers due to their anti-bacterial and anti-cancer properties and for passing through the membrane barrier of cells. Also, Ficus carica sap has high amounts of polyphenol compounds, which can be a valuable source of antioxidants. In the present study, Chitosan-ficus carica sap nanocomposite was synthesized and The structural properties and morphology of functionalized Nano-chitosan were investigated using FTIR, SEM, and TEM analysis. In GC–MS chromatogram of alcoholic extract of Ficus carica sap, It shows the identified compounds in Ficus carica sap and the percentage of each compound. A total of 28 compounds were identified. Among the identified compounds, C11H13NO2 by 17.40 %, and C13H22O3 by 12.56 % had the highest amount compared to other compounds.
The MTT test was carried out with different compound concentrations (12.5–25–50-6.25-3.12-1.56-0.78-0.39-0.19-0.009-04 μg/mL) and the MTT concentration was determined against the Hela cell line. The Hela cell line was treated with MTT concentration, and the amount of apoptosis was investigated by Flowcytometry technique. Also, MIC, MBC, and disk diffusion tests were performed for study compound antibacterial activity against major Gram-positive and Gram-negative bacteria according to CLSI2022. The cells were treated with an MTT concentration of 0.8 μg/mL with chitosan nanoparticles functionalized with Ficus carica sap. In this study, Chitosan-ficus carica sap nanocomposite the MIC and MBC against Gram-positive and Gram-negative bacteria determined 200 μg/mL. In the treatment group, apoptosis was determined 46.91 % and In the untreated group, apoptosis was 10.66 %. the results indicated apoptosis after treatment increased 4.4 times.
Due to the effect of this nanocomposite compound in low concentrations against gram-positive and gram-negative bacteria inhibition and the property of inducing apoptosis in Hela cell lines, it is possible to research and use this compound as a therapeutic and preventive medicine against vaginal infections and cervical cancer.
{"title":"Synthesis of Ficus carica sap-functionalized Nano-chitosan for biomedical applications: Apoptosis induction and tumor cell line growth inhibition","authors":"Parisa Rahimi , Ensieh Ghasemi , Davoud Esmaeili , Malak Hekmati","doi":"10.1016/j.rechem.2025.102115","DOIUrl":"10.1016/j.rechem.2025.102115","url":null,"abstract":"<div><div>During the last few decades, the use of nanoparticles due to their unique properties, biodegradability, biocompatibility, and nanometer size to reduce the side effects of drugs, especially in cancer treatment, has been considered. Chitosan nanoparticles, as biopolymers, are known as drug carriers due to their anti-bacterial and anti-cancer properties and for passing through the membrane barrier of cells. Also, <em>Ficus carica</em> sap has high amounts of polyphenol compounds, which can be a valuable source of antioxidants. In the present study, Chitosan-<em>ficus carica</em> sap nanocomposite was synthesized and The structural properties and morphology of functionalized Nano-chitosan were investigated using FTIR, SEM, and TEM analysis. In GC–MS chromatogram of alcoholic extract of <em>Ficus carica</em> sap, It shows the identified compounds in <em>Ficus carica</em> sap and the percentage of each compound. A total of 28 compounds were identified. Among the identified compounds, C<sub>11</sub>H<sub>13</sub>NO<sub>2</sub> by 17.40 %, and C<sub>13</sub>H<sub>22</sub>O<sub>3</sub> by 12.56 % had the highest amount compared to other compounds.</div><div>The MTT test was carried out with different compound concentrations (12.5–25–50-6.25-3.12-1.56-0.78-0.39-0.19-0.009-04 μg/mL) and the MTT concentration was determined against the Hela cell line. The Hela cell line was treated with MTT concentration, and the amount of apoptosis was investigated by Flowcytometry technique. Also, MIC, MBC, and disk diffusion tests were performed for study compound antibacterial activity against major Gram-positive and Gram-negative bacteria according to CLSI2022. The cells were treated with an MTT concentration of 0.8 μg/mL with chitosan nanoparticles functionalized with <em>Ficus carica</em> sap. In this study, Chitosan-<em>ficus carica</em> sap nanocomposite the MIC and MBC against Gram-positive and Gram-negative bacteria determined 200 μg/mL. In the treatment group, apoptosis was determined 46.91 % and In the untreated group, apoptosis was 10.66 %. the results indicated apoptosis after treatment increased 4.4 times.</div><div>Due to the effect of this nanocomposite compound in low concentrations against gram-positive and gram-negative bacteria inhibition and the property of inducing apoptosis in Hela cell lines, it is possible to research and use this compound as a therapeutic and preventive medicine against vaginal infections and cervical cancer.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102115"},"PeriodicalIF":2.5,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143421079","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}
Pub Date : 2025-02-09DOI: 10.1016/j.rechem.2025.102111
Lukman Shehu Mustapha , Kehinde Shola Obayomi
Textile production wastewater's composition has been an issue since it contains organic material and inorganic pollutants, making treatment difficult. This study used aloe vera as a natural coagulant to remediate wastewater. This objective was to use response surface methods to optimize operating parameters on the removal efficiency of nitrate removal through the application of response surface methodology (RSM). The influence of four factors such as aloe vera dosage, agitation time, agitation speed, and settling time on the removal of nitrate was examined to determine the optimal conditions for water treatment. The selected range of operating parameters is 20–40 min agitation time, 60–120 min settling time, a dosage of 0.5–1.5 g/L, and an agitation speed of 150–250 rpm respectively. Validation was carried out on the acquired data using the quadratic model. The optimal conditions for achieving the highest nitrate removal were determined as follows: 20 min agitation time, settling time of 120 min, 0.5 g/L dosage of aloe vera and 150 rpm agitation speed. The established conditions were confirmed through replication, resulting in 97% removal of nitrate. Functionalized groups that cause coagulation were revealed by Fourier-transform infrared spectroscopy (FTIR) and a firm, dense structure shown by scanning electron microscopy analysis suggested that contaminants had adhered to the coagulant. The findings of this research have potential practical applications on an industrial scale for water treatment purposes.
{"title":"Parametric optimization of aloe vera coagulant for nitrate removal from textile wastewater using response surface methodology (RSM)","authors":"Lukman Shehu Mustapha , Kehinde Shola Obayomi","doi":"10.1016/j.rechem.2025.102111","DOIUrl":"10.1016/j.rechem.2025.102111","url":null,"abstract":"<div><div>Textile production wastewater's composition has been an issue since it contains organic material and inorganic pollutants, making treatment difficult. This study used <em>aloe vera</em> as a natural coagulant to remediate wastewater. This objective was to use response surface methods to optimize operating parameters on the removal efficiency of nitrate removal through the application of response surface methodology (RSM). The influence of four factors such as <em>aloe vera</em> dosage, agitation time, agitation speed, and settling time on the removal of nitrate was examined to determine the optimal conditions for water treatment. The selected range of operating parameters is 20–40 min agitation time, 60–120 min settling time, a dosage of 0.5–1.5 g/L, and an agitation speed of 150–250 rpm respectively. Validation was carried out on the acquired data using the quadratic model. The optimal conditions for achieving the highest nitrate removal were determined as follows: 20 min agitation time, settling time of 120 min, 0.5 g/L dosage of <em>aloe vera</em> and 150 rpm agitation speed. The established conditions were confirmed through replication, resulting in 97% removal of nitrate. Functionalized groups that cause coagulation were revealed by Fourier-transform infrared spectroscopy (FTIR) and a firm, dense structure shown by scanning electron microscopy analysis suggested that contaminants had adhered to the coagulant. The findings of this research have potential practical applications on an industrial scale for water treatment purposes.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102111"},"PeriodicalIF":2.5,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387458","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}
Pub Date : 2025-02-09DOI: 10.1016/j.rechem.2025.102108
Maryam Taheri Jam , Reza Ghiasi , Sahar Baniyaghoob
In this work, the adsorption of benzene on the Mg4O4 cluster was illustrated in the absence and presence of external electric field (EEF) along x-axis by LC-ωPBE model. EEF effect on the adsorption energy values was investigated. Variations in the dipole moment, polarizability as well as structural factors were exhibited in the presence and absence of EEF. Dependencies of EEF strength on theses parameters were explored. Linear correlations between adsorption energy, dipole moment and polarizability values with EEF strength were provided.
{"title":"External electric effect on the adsorption of benzene on Mg4O4 cluster: A DFT investigation","authors":"Maryam Taheri Jam , Reza Ghiasi , Sahar Baniyaghoob","doi":"10.1016/j.rechem.2025.102108","DOIUrl":"10.1016/j.rechem.2025.102108","url":null,"abstract":"<div><div>In this work, the adsorption of benzene on the Mg<sub>4</sub>O<sub>4</sub> cluster was illustrated in the absence and presence of external electric field (EEF) along x-axis by LC-ωPBE model. EEF effect on the adsorption energy values was investigated. Variations in the dipole moment, polarizability as well as structural factors were exhibited in the presence and absence of EEF. Dependencies of EEF strength on theses parameters were explored. Linear correlations between adsorption energy, dipole moment and polarizability values with EEF strength were provided.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102108"},"PeriodicalIF":2.5,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143421085","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}
Breast cancer is the most common and significant threat affecting women globally. Traditional methods have been widely used in cancer treatment for many years. However, the unavoidable side effects of these approaches are undeniable. Nanotechnology Through combination therapy offers the potential to improve traditional cancer treatments by reducing side effects and enhancing efficacy. In this project, we examined the potential of single-walled carbon nanotubes (SWCNTs) as advanced delivery systems for chemotherapy agents directly to tumors, as well as their role as platforms for the development of radiation sensitizers to enhance the efficacy of radiation therapy without drugs and combination therapy with chemotherapy. To confirm the successful formation of the nanoparticles, we conducted various techniques such as Transmission Electron Microscopy (TEM), Fourier Transform Infrared Spectroscopy (FTIR), UV–visible spectroscopy, and X-ray diffraction (XRD) to ensure accurate verification. To evaluate the cytotoxicity of SWCNTs -Au-CUR nanoparticles, we performed MTT and hemolysis assays. Subsequently, we assessed the effectiveness of the synthesized nanoparticles against cancer cells at different concentrations, with and without the aid of X-ray. Observed results showed the correct creation and high efficacy of these nanoparticles on cancerous cells. It also showed that the presence of X-rays amplified nanoparticle toxicity, increased the ROS levels in the cancerous cells, and resulted in more effective induction of DNA damage.
{"title":"SWCNTs functionalized with gold nanoradiosensitizers as radiosensitizers for enhanced radiotherapy in breast cancer","authors":"Ali Mohammadi , Negin Hashemi , Zahra Asghariha , Marzieh Sadat Hosseini , Hossein Danafar","doi":"10.1016/j.rechem.2025.102113","DOIUrl":"10.1016/j.rechem.2025.102113","url":null,"abstract":"<div><div>Breast cancer is the most common and significant threat affecting women globally. Traditional methods have been widely used in cancer treatment for many years. However, the unavoidable side effects of these approaches are undeniable. Nanotechnology Through combination therapy offers the potential to improve traditional cancer treatments by reducing side effects and enhancing efficacy. In this project, we examined the potential of single-walled carbon nanotubes (SWCNTs) as advanced delivery systems for chemotherapy agents directly to tumors, as well as their role as platforms for the development of radiation sensitizers to enhance the efficacy of radiation therapy without drugs and combination therapy with chemotherapy. To confirm the successful formation of the nanoparticles, we conducted various techniques such as Transmission Electron Microscopy (TEM), Fourier Transform Infrared Spectroscopy (FTIR), UV–visible spectroscopy, and X-ray diffraction (XRD) to ensure accurate verification. To evaluate the cytotoxicity of SWCNTs -Au-CUR nanoparticles, we performed MTT and hemolysis assays. Subsequently, we assessed the effectiveness of the synthesized nanoparticles against cancer cells at different concentrations, with and without the aid of X-ray. Observed results showed the correct creation and high efficacy of these nanoparticles on cancerous cells. It also showed that the presence of X-rays amplified nanoparticle toxicity, increased the ROS levels in the cancerous cells, and resulted in more effective induction of DNA damage.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102113"},"PeriodicalIF":2.5,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143421081","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}
Phellinus linteus, a traditional medicinal mushroom, is highly valued for its health benefits. The commercially available fruiting body of Phellinus linteus (PL) was extracted and characterized to elucidate its potential nutritional bioactivity. A sequential extraction method was employed, starting with conventional ethanol extraction (PL-E), followed by mechanical ball-mill assisted ethanol extraction (PL-B) or supercritical CO2 cosolvent (PL-C), resulting in the identification of 19, 9, and 10 tentative compounds, respectively. The extracts comprised non-polar compounds, including triterpenoids and sterols in PL-E, and polyphenols and long-chain fatty acids in PL-B and PL-C. Hispidin and hispolon were found exclusively in PL-E. The PL-E demonstrated anticancer potential against MCF-7 cells, while the PL-C showed the highest activity against MCF-7 and HT-29 cells, suggesting that this high bioactivity fraction may be a promising candidate for anticancer studies. The PL-E, which exhibited high yield and bioactivity with various bioactive compounds, underwent complexation encapsulation with β-cyclodextrin. This study also proposes a potential green method to enhance these compounds' bioactivity value and bioaccessibility, supporting their development for food, nutraceutical, and pharmacological applications.
{"title":"Sequential green extraction, identification, and encapsulation of bioactive compound from Phellinus linteus fruiting body","authors":"Tita Foophow , Sittiruk Roytrakul , Vilai Rungsardthong , Weerachon Phoohinkong","doi":"10.1016/j.rechem.2025.102112","DOIUrl":"10.1016/j.rechem.2025.102112","url":null,"abstract":"<div><div><em>Phellinus linteus</em>, a traditional medicinal mushroom, is highly valued for its health benefits. The commercially available fruiting body of <em>Phellinus linteus</em> (PL) was extracted and characterized to elucidate its potential nutritional bioactivity. A sequential extraction method was employed, starting with conventional ethanol extraction (PL-E), followed by mechanical ball-mill assisted ethanol extraction (PL-B) or supercritical CO<sub>2</sub> cosolvent (PL-C), resulting in the identification of 19, 9, and 10 tentative compounds, respectively. The extracts comprised non-polar compounds, including triterpenoids and sterols in PL-E, and polyphenols and long-chain fatty acids in PL-B and PL-C. Hispidin and hispolon were found exclusively in PL-E. The PL-E demonstrated anticancer potential against MCF-7 cells, while the PL-C showed the highest activity against MCF-7 and HT-29 cells, suggesting that this high bioactivity fraction may be a promising candidate for anticancer studies. The PL-E, which exhibited high yield and bioactivity with various bioactive compounds, underwent complexation encapsulation with β-cyclodextrin. This study also proposes a potential green method to enhance these compounds' bioactivity value and bioaccessibility, supporting their development for food, nutraceutical, and pharmacological applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102112"},"PeriodicalIF":2.5,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143420763","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}
Pub Date : 2025-02-07DOI: 10.1016/j.rechem.2025.102109
P. Mousavian, M.D. Esrafili
In the current study, first-principles calculations are used to determine the stability of B40 fullerene decorated with Sc or Ti atoms and its applications in storing and separating CH4 from gas mixtures. Our calculations indicate that the metal atoms are unlikely to cluster on the B40. Furthermore, the metal decorated B40 fullerenes can adsorb up to 24 CH4 molecules with a gravimetric density of about 35 %. The decorated B40 fullerenes are also useful for purifying CH4 from CH4 /X (X = CF4, N2, CO2, H2, He, Ne, and Ar) gas mixtures.
{"title":"A DFT survey of CH4 storage and separation from CH4 /X (X = H2, CO2, N2, CF4, he, ne, and Ar) gas mixtures on Ti/Sc decorated B40 fullerene","authors":"P. Mousavian, M.D. Esrafili","doi":"10.1016/j.rechem.2025.102109","DOIUrl":"10.1016/j.rechem.2025.102109","url":null,"abstract":"<div><div>In the current study, first-principles calculations are used to determine the stability of B<sub>40</sub> fullerene decorated with Sc or Ti atoms and its applications in storing and separating CH<sub>4</sub> from gas mixtures. Our calculations indicate that the metal atoms are unlikely to cluster on the B<sub>40</sub>. Furthermore, the metal decorated B<sub>40</sub> fullerenes can adsorb up to 24 CH<sub>4</sub> molecules with a gravimetric density of about 35 %. The decorated B<sub>40</sub> fullerenes are also useful for purifying CH<sub>4</sub> from CH<sub>4</sub> /X (X = CF<sub>4</sub>, N<sub>2</sub>, CO<sub>2</sub>, H<sub>2</sub>, He, Ne, and Ar) gas mixtures.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102109"},"PeriodicalIF":2.5,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377852","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}
Sonogashira cross-coupling of 5-bromo-2-hydroxy-3-iodoacetophenone and subsequent Suzuki-Miyaura cross-coupling of the 1-(5-bromo)-2–substituted furan-7-yl) ethanones afforded series of novel 1-(5-(4-aryl)-2–substituted furan-7-yl) ethanone derivatives. The potential anti-inflammatory and anti-diabetic properties of the prepared compounds were evaluated against lipoxygenase (LOX-15) and α-glucosidase enzymes, respectively. Besides compounds 2b and 2c with IC50 values of 8.8 μM and 11.2 μM against α-glucosidase and LOX-1, respectively, the 1-(5-bromo)-2–substituted furan-7-yl) ethanones were found to be poorly inhibitors of both enzymes. On the other hand, compounds 3j (IC50 = 8.0 μM) and 3l (IC50 = 5.3 μM) exhibited significant inhibitory activity against LOX-15 and α-glucosidase, respectively. Cytotoxicity of the most active compound was evaluated against Raw 264.7 macrophages. Molecular docking and MDS studies of the most active compounds against α-glucosidase enzyme have revealed that the structure-activity relationship (SAR) of the 1-(5-(4-aryl)-2–substituted furan-7-yl) ethanone analogues indicates a water-mediated hydrogen bond between ASP232 and ARG552 influences the activity of these analogues. Furthermore, hydrophobic interactions facilitated by TRP329, PHE364, TRP432, SER474, PHE476, and PHEPHE601 are important for the enzyme-ligand recognition of these compounds.
{"title":"Anti-diabetic, anti-inflammatory and molecular docking studies of benzofuran derivatives as potential α-glucosidase and lipoxygenase inhibitors","authors":"E.N. Agbo , Redolf.S. Segodi , N.J. Gumede , K.W. Poopedi , T.C. Leboho , R.M. Mampa , W. Nxumalo","doi":"10.1016/j.rechem.2025.102102","DOIUrl":"10.1016/j.rechem.2025.102102","url":null,"abstract":"<div><div>Sonogashira cross-coupling of 5-bromo-2-hydroxy-3-iodoacetophenone and subsequent Suzuki-Miyaura cross-coupling of the 1-(5-bromo)-2–substituted furan-7-yl) ethanones afforded series of novel 1-(5-(4-aryl)-2–substituted furan-7-yl) ethanone derivatives. The potential anti-inflammatory and anti-diabetic properties of the prepared compounds were evaluated against lipoxygenase (LOX-15) and α-glucosidase enzymes, respectively. Besides compounds <strong>2b</strong> and <strong>2c</strong> with IC<sub>50</sub> values of 8.8 μM and 11.2 μM against α-glucosidase and LOX-1, respectively, the 1-(5-bromo)-2–substituted furan-7-yl) ethanones were found to be poorly inhibitors of both enzymes. On the other hand, compounds <strong>3j</strong> (IC<sub>50</sub> = 8.0 μM) and <strong>3</strong>l (IC<sub>50</sub> = 5.3 μM) exhibited significant inhibitory activity against LOX-15 and α-glucosidase, respectively. Cytotoxicity of the most active compound was evaluated against Raw 264.7 macrophages. Molecular docking and MDS studies of the most active compounds against α-glucosidase enzyme have revealed that the structure-activity relationship (SAR) of the 1-(5-(4-aryl)-2–substituted furan-7-yl) ethanone analogues indicates a water-mediated hydrogen bond between ASP232 and ARG552 influences the activity of these analogues. Furthermore, hydrophobic interactions facilitated by TRP329, PHE364, TRP432, SER474, PHE476, and PHEPHE601 are important for the enzyme-ligand recognition of these compounds.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102102"},"PeriodicalIF":2.5,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388249","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}
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