{"title":"Leveraging conventional and natural solvents: physical extraction of 4-hydroxybenzoic acid","authors":"Vishnu P. Yadav, Anil Kumar Chandrakar","doi":"10.1007/s13738-024-03099-3","DOIUrl":"10.1007/s13738-024-03099-3","url":null,"abstract":"<div><p>The demand of 4-hydroxybenzoic acid (4-HBA) has increased due to their promising properties in the various industries such as pharmaceutical, cosmetic, and plastic sectors. Mostly 0.005 to 0.035 mol/liter of 4-HBA was observed in the waste stream or fermentation broth. Hence, this work presents a schematic study of 4-HBA separation from the aqueous phase by physical extraction method using conventional and natural solvents (CANS). The harmless and eco-friendly green solvents such as alsi (flaxseed) oil, castor oil, and conventional solvents such as diethyl carbonate, diethyl succinate, and xylene are employed in the extraction experiments. Several parameters, such as the K<sub>DHBA</sub>, %E<sub>HBA</sub>, P<sub>HBA</sub>, and the D<sub>HBA</sub>, were examined. The parameters were examined to evaluate the equilibrium for this physical extraction experiment. The obtained results showed the following trend of K<sub>DHBA</sub> and %E<sub>HBA</sub>, respectively, diethyl carbonate (0.951, 48.75%) > alsi oil (0.565, 36.12%) > diethyl succinate (0.504, 33.51%) > castor oil (0.457, 31.35%). > xylene (0.283, 22.06%).</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 10","pages":"2683 - 2692"},"PeriodicalIF":2.2,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452962","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zahra Shamsadin-Azad, Mohammad Ali Taher, Hadi Beitollahi
{"title":"A simple voltammetric method for rapid sensing of daunorubicin in the presence of dacarbazine by graphene oxide/metal–organic framework-235 nanocomposite-modified carbon paste electrode","authors":"Zahra Shamsadin-Azad, Mohammad Ali Taher, Hadi Beitollahi","doi":"10.1007/s13738-024-03092-w","DOIUrl":"10.1007/s13738-024-03092-w","url":null,"abstract":"<div><p>In the current work, a novel and simple electrochemical sensing platform was built utilizing a graphene oxide (GO)/metal–organic framework-235 (MOF-235) nanocomposite, which was successfully synthesized and used as an excellent modifier to determine the simultaneous presence of two key anticancer medications, daunorubicin (DNR), and dacarbazine (DTIC). Fourier transform infrared spectroscopy, energy-dispersive X-ray spectroscopy, field-emission scanning electron microscopy, and scanning electron microscopy (SEM) are used to characterize the GO/MOF-235 nanocomposite. The electrocatalytic properties of the modified sensor based on MOF and GO in phosphate buffer solution (PBS) (0.1 M—pH 7.0) toward DNR redox reaction were thoroughly investigated using electrochemical methodologies including cyclic voltammetry, differential pulse voltammetry, and chronoamperometry. This GO/MOF-235-modified CPE demonstrated a wide linear response of 0.005–400.0 μM under optimized conditions. It was determined that 0.002 μM was the detection limit. This sensor displayed two distinct oxidation peaks at 390 mV for DNR and at 750 mV for dacarbazine (DTIC) (peak potential separation = 360 mV), allowing for the simultaneous detection of the two anticancer medications. Determination of these anticancer medicines in samples (DNR injection and DTIC injection) was effectively accomplished in the final step using the GO/MOF-235/CPE sensor.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 10","pages":"2623 - 2633"},"PeriodicalIF":2.2,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13738-024-03092-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Bimetallic-organic framework (Fe, Cu)/carbon nanotubes encapsulated Ni nanoparticles as heterogeneous catalyst in Fenton-like process for degradation of acid orange 7 dye","authors":"Pouya Tahmasebi, Jalal Basiri Parsa","doi":"10.1007/s13738-024-03086-8","DOIUrl":"10.1007/s13738-024-03086-8","url":null,"abstract":"<div><p>The novel heterogeneous catalyst, Bimetallic-organic framework (Fe, Cu)/carbon nanotubes encapsulated Ni nanoparticles, has been introduced for efficient degradation of acid orange 7 (AO7) via Fenton-like process. Optimizing and modeling of the heterogeneous degradation process were performed using response surface methodology (RSM) based on a five-level central composite design (CCD). The study on the individual and interaction effect of four operating parameters including pH, H<sub>2</sub>O<sub>2</sub> concentration (mM), catalyst dose (mg L<sup>−1</sup>) and reaction time (min) revealed that the maximum AO7 degradation efficiency (93.94%) was achieved under optimal conditions of pH = 4.0, H<sub>2</sub>O<sub>2</sub> concentration = 25 mM, catalyst dose = 200.0 mg L<sup>−1</sup> and reaction time = 27 min (<i>k</i> = 0.1024 (min<sup>−1</sup>)). Analysis of scavenging revealed that tertiary butyl alcohol (TBA) led to a notable reduction in the degradation of AO7 under optimal conditions. The degradation of AO7 dropped from 93.94% to 14.28% as TBA concentrations varied from 0 to 9 mmol L<sup>−1</sup>. Consequently, the rate constant of the degradation reaction decreased from 0.1002 to 0.0058 min<sup>−1</sup> as the concentration of the quenching agent increased. Interestingly, it was found that besides the role of Fe, Cu and Ni species in the Fe<sub>0.6</sub>Cu<sub>0.3</sub>Ni<sub>0.1</sub>(BDC)@CNT, surface oxygen-functional groups on the CNT provides faster and efficient Fe(III)/Fe(II) cycle over a broader pH range. Furthermore, concerning the importance of economic and environmental issues, the possibility of regenerating the Fe<sub>0.6</sub>Cu<sub>0.3</sub>Ni<sub>0.1</sub>(BDC)@CNT catalyst for four consecutive cycles has been confirmed. The concluding observations of this study provide favorable outcomes in the development and utilizing the advanced MOF-based catalysts with the aim of effective environmental remediation.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 10","pages":"2587 - 2605"},"PeriodicalIF":2.2,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Spectroscopy investigations on chemosensor activities of isatin-hydrazones toward Ag+ and Hg2+ ions","authors":"Ghodsi Mohammadi Ziarani, Zahra Panahande, Fatemeh Mohajer, Rajender S. Varma, Alireza Badiei, Siavash Iravani","doi":"10.1007/s13738-024-03091-x","DOIUrl":"10.1007/s13738-024-03091-x","url":null,"abstract":"<div><p>In this paper, isatin-hydrazone was synthesized using SBA-Pr-N-Is-But-SO<sub>3</sub>H as nanocatalyst via the two-component reaction of isatin with hydrazine hydrate in an expeditious reaction with high yield of production. The sensing properties were evaluated in EtOH: H<sub>2</sub>O (1:9) for the different cation (K<sup>+</sup>, Ca<sup>2+</sup>, Na<sup>+</sup>, Cu<sup>2+</sup>, Zn<sup>2+</sup>, Cr<sup>3+</sup>, Mn<sup>2+</sup>, Co<sup>2+</sup>, Al<sup>3+</sup>, Pb<sup>2+</sup>, Ag<sup>+</sup>, Cd<sup>2+</sup>, Ni<sup>2+</sup>, Hg<sup>2+</sup>, and Mg<sup>2+</sup>). The obtained results revealed that these compounds could be applied as chemosensor for the sensitive detection of Hg<sup>2+</sup> and Ag<sup>+</sup> ions using UV–Vis spectroscopy and fluorescence spectroscopy, respectively. The detection limit was calculated to be 1.17 × 10<sup>–6</sup> M for Hg<sup>2+</sup> ions and 1.4 × 10<sup>–6</sup> M for Ag<sup>+</sup> ions. Also, isatin-hydrazone was treated with 4-flurobenzaldehyde to obtain 4-fluorobenzaldehyde-N-(2-oxo-1,2-dihydro-3H-indole-3-indole-3-ylidene)hydrazone which could sensitively select Hg<sup>2+</sup> ions among different ions using fluorescence spectroscopy. The detection limit of the colorimetric sensor to detect the Hg<sup>2+</sup> ions is 3.6 × 10<sup>–6</sup> M. At the end of the reaction, the nanocatalyst was recovered and reused.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 10","pages":"2607 - 2622"},"PeriodicalIF":2.2,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13738-024-03091-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142258033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Adsorption properties of Ni(II) ions from an aqueous solution onto activated carbon prepared from Posidonia oceanica seagrass","authors":"Ramazan Donat, Hacer Şensöz","doi":"10.1007/s13738-024-03098-4","DOIUrl":"10.1007/s13738-024-03098-4","url":null,"abstract":"<div><p>This study examined the adsorption ability of Ni(II) metal ions from aqueous solutions on a physically activated adsorbent of <i>Posidonia oceanica</i> seagrass (AC-PO), which is both economically and naturally available. The effects of pH, amount of adsorbent, concentration of nickel ions, temperature, and contact time, which are among the parameters affecting the adsorption of Ni(II) ions on AC-PO, were examined. The kinetic data fit well with the pseudo-second-order model. The adsorption of Ni(II) ions showed compliance with Langmuir, Freundlich, and D-R isotherms. The Langmuir model showed better representation of data (0.9993). The maximum adsorption capacity of AC-PO for nickel ions was 138.89 mg·g<sup>−1</sup>.at 25 °C The thermodynamic parameters such as ∆G°, ∆H°, and ∆S° were calculated for the Ni(II) ion, and it was determined that the adsorption was spontaneous and endothermic. In qualitative chemical analysis by energy dispersive spectroscopy (EDS), it was found that there was ion exchange with adsorption of nickel ions on the AC-PO adsorbent. According to the results obtained from this study, it can be said that the adsorption ability of the AC-PO adsorbent is quite high in the removal of Ni(II) ions from aqueous solutions.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 10","pages":"2669 - 2681"},"PeriodicalIF":2.2,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142258034","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A comprehensive review on synthetic strategy and MOA of marketed drugs having therapeutically potential chemical entity pyrazole","authors":"Sucheta Singh, Kuldeep Singh, Sumit Tahlan","doi":"10.1007/s13738-024-03095-7","DOIUrl":"10.1007/s13738-024-03095-7","url":null,"abstract":"<div><p>Nitrogen-containing heterocycles have been desirable targets for synthesis for many years because of their structural diversity and biological significance. Five-membered heterocyclic rings, or pyrazole, are a flexible starting point for the design of effective bioactive compounds and are widely used in medicinal chemistry, drug discovery, agrochemistry, coordination chemistry, and organometallic chemistry. Pyrazole derivatives have played an important role in heterocyclic chemistry and have been extensively studied owing to their ease of access, diversified chemical reactivity, and broad biological properties, including antibacterial, anti-inflammatory, anticancer, analgesic, anticonvulsant, anthelmintic, antioxidant, and herbicidal properties. Pyrazole nuclei are synthesized via a variety of methods, including the multicomponent approach, dipolar cycloaddition, cyclocondensation of hydrazine with a carbonyl system, heterocyclic system, and multicomponent approach. The current review is an attempt to understand the chemistry and medicinal importance of the pyrazole-containing marketed drugs reported to date, which will undoubtedly assist the scientific community in making further advances in the isolation and synthesis of pyrazole-based novel bioactive compounds.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 10","pages":"2531 - 2564"},"PeriodicalIF":2.2,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13738-024-03095-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142258035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"An efficient synthesis of pyrano [2, 3-d] pyrimidines catalyzed by ZrO2-CeO2 nanoparticles and their anticancer evaluation","authors":"Aarti Nagar, Virendra Singh Meena, Pradeep Kumar Paliwal, Shubha Jain","doi":"10.1007/s13738-024-03097-5","DOIUrl":"10.1007/s13738-024-03097-5","url":null,"abstract":"<div><p>Zirconium doped cerium nanoparticles have been found to be an excellent heterogeneous catalyst for the one-pot multi-component reactions of Barbituric acid, aromatic aldehyde and malononitrile to yield the Pyrano(2,3-d) pyrimidine derivatives in aqueous media. The results showed that nanosized CeO<sub>2</sub> − ZrO<sub>2</sub> has a potential catalytic material for the synthesis of title compound. All the synthesized molecules were determined and characterised by chromatographic and spectroscopic (IR,<sup>1</sup>H-NMR, <sup>13</sup>C-NMR, HR-MS) analysis. The formation, size and morphology of the metal ions present in the material is confirmed by powdered X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) techniques. The synthesised compounds have shown good to excellent cytotoxicity against human breast cancer cell line MDA-MB-453.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 10","pages":"2659 - 2667"},"PeriodicalIF":2.2,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13738-024-03097-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142258068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Roberta N. C. S. Carvalho, Taiana A. Anunciação, Alailson F. Dantas, Fabio de S. Dias, Leonardo S. G. Teixeira
{"title":"Determination of uranium in water samples by energy-dispersive X-ray fluorescence spectrometry after solid-phase extraction","authors":"Roberta N. C. S. Carvalho, Taiana A. Anunciação, Alailson F. Dantas, Fabio de S. Dias, Leonardo S. G. Teixeira","doi":"10.1007/s13738-024-03093-9","DOIUrl":"10.1007/s13738-024-03093-9","url":null,"abstract":"<div><p>An analytical method is presented for determining the uranium concentration in water samples via energy-dispersive X-ray fluorescence (EDXRF) spectrometry after solid-phase extraction. For the preconcentration procedure, the 1-(-2-thiazolylazo)-2-naphthol (TAN) reagent was used to complex the analyte in the samples. After the percolation of the sample and retention of the complex on a C18 disk, analysis was performed directly on the solid phase via EDXRF. The pH, sample flow rate, and sample volume were analyzed in terms of the uranium extraction. Using a sample volume of 110.0 mL buffered at pH 6.5 and a flow rate of 1.0 mL min<sup>−1</sup>, an enrichment factor (EF) of 645 was achieved, with a limit of detection of 1.5 μg L<sup>−1</sup>. The relative standard deviation (RSD, %), calculated from replications of the experiment under recommended conditions (n = 10; 20 μg L<sup>−1</sup>), was 10%. The results of the analyte addition and recovery tests varied between 98 and 117%. The accuracy of the method was verified via analysis of a water reference material, with no significant difference between the obtained values and the certified values (95% confidence level). The method was applied to groundwater, river water, and tap water samples collected in Caetité, Bahia, Brazil, and the results were compared with those obtained via inductively coupled plasma‒mass spectrometry (ICP‒MS). All the collected samples presented uranium concentrations below the acceptable maximum limit for drinking water samples.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 10","pages":"2635 - 2642"},"PeriodicalIF":2.2,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142258070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mohamed Ahmed Mahmoud Abdel Reheim, Ibrahim Saad Abdel Hafiz, Reem Mustafa Darweesh, Sayeda Abdelrazek Abdelhamid, Mohamed Ahmed Elian Sophy
{"title":"Utilization of 2-cyano-N-(2,5-dioxopyrrolidin-1-yl) acetamide for the synthesis of thiazole, pyrazole and pyridene derivatives with a biological evaluation","authors":"Mohamed Ahmed Mahmoud Abdel Reheim, Ibrahim Saad Abdel Hafiz, Reem Mustafa Darweesh, Sayeda Abdelrazek Abdelhamid, Mohamed Ahmed Elian Sophy","doi":"10.1007/s13738-024-03082-y","DOIUrl":"10.1007/s13738-024-03082-y","url":null,"abstract":"<div><p>A range of fused heterocyclic compounds are generated utilizing the crucial intermediary 2-cyano-N-(2,5-dioxopyrrolidin-1-yl) acetamide <b>4</b>. Spectral analysis was executed to support the structures of the newly synthesized compounds, which is expected to have a potential biological activity. The antimicrobial activity of the recently synthesized compounds and their derivatives has been tested against <i>B. subtilis, S. aureus, E. coli</i>, <i>P. aeruginosa, S. typhimurium, C. albicans, and A. niger,</i> as reference antibiotics, <i>ampicillin</i> and <i>mycostatin</i>, were used against test bacteria and fungi, respectively. In general, the novel produced compounds demonstrated a good antibacterial action against the previously indicated pathogens.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 9","pages":"2443 - 2458"},"PeriodicalIF":2.2,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142175374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Kholoud Heshmat, Asmaa T. Mohamed, Samah A. Loutfy, Ramy Mohamed AbdElaziz, Mehrez E. El-Naggar, Mohamed A. Hamed, Mohamed Atef, Elbadawy A. Kamoun, Ibrahim El-Tantawy El-Sayed, Yasmine S. Moemen
{"title":"Synthesis, antiproliferative activity and molecular docking studies of neo- and isocryptolepine conjugates","authors":"Kholoud Heshmat, Asmaa T. Mohamed, Samah A. Loutfy, Ramy Mohamed AbdElaziz, Mehrez E. El-Naggar, Mohamed A. Hamed, Mohamed Atef, Elbadawy A. Kamoun, Ibrahim El-Tantawy El-Sayed, Yasmine S. Moemen","doi":"10.1007/s13738-024-03078-8","DOIUrl":"10.1007/s13738-024-03078-8","url":null,"abstract":"<div><p>A series of twelve conjugates <b>9a-c, 10a-c</b>, <b>11a-c,</b> and <b>12a-c</b> based on naturally occurring neo- and isocryptolepines <b>I</b> and <b>II</b> were synthesized and characterized. The synthetic pathways involved nucleophilic substitution reaction of the preprepared amines <b>4a-c</b> and <b>5a-c</b> with 1-(4-bromobutyl)indole derivatives <b>8a</b> and <b>8b</b>, respectively, in aprotic solvent under heating. The structures of the synthesized conjugates were elucidated by <b>FTIR, </b><sup><b>1</b></sup><b>H NMR</b>, <sup><b>13</b></sup><b>C NMR,</b> and <b>MS</b> spectrometry and showed data consistence with the expected structures. The antiproliferative activity of <b>9a-c, 10a-c, 11a-c</b> and <b>12a-c</b> was evaluated against HepG-2 and HCT-116 cancer cell lines using normal cells and reference drug paclitaxel. The screening results revealed that <b>9b</b> and <b>9c</b> were the most active conjugates against HepG-2 and HCT-116 cancer cell lines with IC<sub>50</sub>: 8.49, 9.52, 16.87, 21.75 µM, respectively, using <i>paclitaxel</i> as a reference drug. It is worth noting that <b>9b</b> and <b>9c</b> were more selective toward cancer cells versus normal Vero cells. To rationalize the anticancer activity and selectivity of <b>9b</b> and <b>9c,</b> we have performed molecular docking study against human topoisomerases I and II for better understanding of their anticancer activities in atomic level. Molecular docking studies revealed that the presence of planar indoloquinoline fused four rings and a flexible side chain pharmacophores together improve DNA-intercalation and inhibition of DNA-Topo isomerases activity.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 9","pages":"2401 - 2412"},"PeriodicalIF":2.2,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142175373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}