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Determination and validation of tiaprofenic acid in human plasma: A detailed LC-MS/MS-based analysis following ICH M10 guidelines and the accuracy profile approach
, Online first: April, 2024 Houda Bouchafra, Aimen El Orche, Choukri El Khabbaz, Amine Cheikh, Miloud El Karbane, My El Abbes Faouzi, Yahia Cherrah, Lhoussaine Zarayby and Aziz Hirri PDF (2300 K) |
Abstract: The validation of bioanalytical methods holds critical importance for regulatory agencies and organizations dedicated to ensuring the safety, efficacy, and quality of pharmaceuticals. In this context, the recent release of the ICH M10 guideline in May 2022 represents a significant milestone in standardizing bioanalytical method validation globally. However, this guideline lacks explicit experimental protocols for implementation. In this study, we address the practical implementation of the newly released ICH M10 guideline by providing a detailed validation protocol for a bioanalytical method. Our method specifically targets tiaprofenic acid, a widely used nonsteroidal anti-inflammatory drug. Tiaprofenic acid is a critical component in bioequivalence studies, underscoring the necessity for precise and accurate quantification within complex biological matrices. The integration of the accuracy profile approach, a statistical tool, enhances the significance of this work. This approach aids in assessing the accuracy and precision of bioanalytical methods, establishing confidence intervals around measured concentrations, and quantifying the level of accuracy and precision expected when using the validated method. DOI: 10.5267/j.ccl.2024.4.003 Keywords: Bioanalytical method validation, ICH M10 guideline, Accuracy profile, Tiaprofenic acid, LC-MS/MS analysis, Pharmaceutical research | |
Open Access Article | |
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Synthesis and evaluation of novel thiophene-dhpms designed having anti-breast cancer potential
, Online first: April, 2024 Dhirajkumar Nikam, Anurekha Jain, Shraddha Vetale, Ashwini Bhange and Shweta Jadhav PDF (2300 K) |
Abstract: The global rise of life-threatening diseases, particularly breast cancer, has emerged as a grave public health challenge. Recognizing the distinct structural demands of anti-breast cancer targets, we have synthesized Thiophene-DHPMs analogs by scaffold hopping approach to exhibit versatility having the ability to target proteins targets of cancer and their interactions contingent upon the various substitutions on them. We have harnessed MCRto synthesize novel Thiophene-DHPMs (4a-4d) derivatives introducing an efficient Biginelli protocol approach. All derivatives are characterized through techniques including FTIR and 1H NMR and evaluated by in vitro SRB assay method on MCF-7 cell line, compared against positive control ADR. Molecular docking studies against kinesin spindle protein Eg5 (1Q0B) revealed superior binding interactions and docking scores (> 8 Kcal) compared to the prototype Eg5 inhibitor Monastrol. Compound 4a binds via Hydrogen bond interaction to target Eg5 with ALA-133, PRO-137, TYR-211 In vitro evaluation of results indicates that compound 4a found to be moderately active (GI50 = -4.41) compared to positive control ADR (GI50 = -7.76) against MCF-7 cells. Compound 4a demonstrates significant activity due to the presence of R=C2H5, X= S, and thiophene ring. DOI: 10.5267/j.ccl.2024.4.002 Keywords: Biginelli reaction, Breast Cancer, DHPMs, Thiophene, MCF-7, SRB assay | |
Open Access Article | |
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A novel, effective, green and recyclable α-Fe2O3@MoS2@Ni Magnetic nanocatalyst in preparation of a series of 1,2,4-triazolidine-3-thiones and spiro-triazole hybrids
, Online first: April, 2024 Iman Rezaei, Raoofeh Sattari Nobarzad, Forouzan Shahri and Iliya Nazeriyeh PDF (2300 K) |
Abstract: In current paper, a novel, green, efficient and recyclable magnetic nanocatalyst (α-Fe2O3@MoS2@Ni) was prepared and characterized by spectroscopic and microscopic techniques (FT-IR, XRD, SEM, EDX, TEM and VSM). α-Fe2O3@MoS2@Ni magnetic nanoparticles (MNPs) were utilized for preparation of 1,2,4-triazolidine-3-thiones and spiro-triazole hybrid series. In this method, a series of triazole derivatives prepared from the reaction between thiosemicarbazide or semicarbazide with diverse isatine derivatives or various arylaldehydes and ketones at room temperature in water as solvent with great yields and short reaction times. α-Fe2O3@MoS2@Ni MNPs was simply removed from the reaction mixture and was reused for five times without any notable changes in its catalytic activity. DOI: 10.5267/j.ccl.2024.4.001 Keywords: Spiro-triazole α-Fe2O3 MoS2 Nickel Magnetic nanocatalyst Recyclability Supplementary data PDF (4600 K) | |
Open Access Article | |
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A review on synthetic approaches for obtaining and chemical modification of 1,2,4-triazolo[3,4-b][1,3,4]thiadiazole based heterocyclic compounds
, Online first: March, 2024 Maryan Lelyukh, Andriy Paliy, Maria Zhukrovska, Myroslava Kalytovska, Ihor Chaban, Lesya Shelepeten and Taras Chaban PDF (2300 K) |
Abstract: Triazolo[3,4-b]thiadiazoles are a class of heterocyclic compounds, which have attracted great interest in medicinal chemistry owing to their wide range of pharmacological activities. A number of triazoles fused to thiadiazoles are incorporated into a wide variety of therapeutically important compounds possessing a broad spectrum of biological activities. Considering such a significant pharmacological potential, as well as wide synthetic possibilities triazolo-thiadiazoles have received considerable attention from scientific community and are extensively used for construction of prospective drug-likes molecules. In this review, we summarized the literature data about the main synthetic approaches for obtaining condensed heterocyclic compounds based on triazolo[3,4-b][1,3,4]thiadiazole scaffold as promising objects for modern bioorganic and medicinal chemistry. DOI: 10.5267/j.ccl.2024.3.007 Keywords: 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazoles, Cyclocondensation, Oxidative cyclization | |
Open Access Article | |
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Preparation of N-heterylarenes from the perspective of phenylhydrazine-based under the principles green chemistry
, Online first: March, 2024 Guillermo Penieres-Carrillo, Ricardo Alfredo Luna-Mora, Francisco Barrera-Téllez, Alejandro Martínez-Záldivar, Alicia Hernández-Campos, Rafael Castillo-Bocanegra, Ana M. R. C. Sousa and Hulme Ríos-Guerra PDF (2300 K) |
Abstract: Herein, modern green synthesis approaches are studied to assemble N-heterylarenes scaffolds via a non-catalyzed intramolecular 5/6-exo-dig cyclocondensation reaction based on the in-situ generation of arenehydrazonopentan-/hexan-2-one. Accordingly, the formation of two N-heteryl moieties, pyrazol-1-yl and pyridazin-1(4H)-yl, was initially studied. Therefore, appropriate fluorophenyl was first converted into their respective phenylhydrazine by SNAr reaction and then reacted with different trigonal carbonyl bielectrophiles (-CO-, -CO2R, and -CO2H) in ethanol in the presence of US, MW, IR, and an IR· US irradiation mixture. Cyclic nitrogenous cores were best obtained when subjected to microwave irradiation with ketone and arylhydrazine as starting reagents, allowing them to get excellent yields quickly. Arylhydrazine reactants featuring Π-donor groups underwent the best 5/6-exo-dig type annulment reaction. Presumably, the observed improvements in EDG-dependent reaction efficiency reflect changes in the nucleophilicity of arylhydrazines intermediates as α-nucleophilic reactants. DOI: 10.5267/j.ccl.2024.3.006 Keywords: α-Nucleophile, Green chemistry, Hyperconjugation effect, Exo-dig closure reaction, H-bonding effects Supplementary data PDF (4600 K) | |
Open Access Article | |
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Synthesis, antimicrobial activity, DFT-calculation, and docking of 4-(1,3,4-thiadiazol-2-yl)-containing polysubstituted pyrroles
, Online first: March, 2024 Sergiy Kemskyi, Alina Grozav, Vitalii Chornous, Nina Yakovychuk, Mariana Fedoriv, Dmytro Mel’nyk, Oksana Mel’nyk and Mykhailo Vovk PDF (2300 K) |
Abstract: A series of new 4-(1,3,4-thiadiazol-2-yl)-containing polysubstituted pyrroles 3 a-k has been synthesized by a preparative convenient method from ethyl 5-chloro-4-formyl-1H-pyrrole-3-carboxylates 1 a-e, which were selectively transformed into the corresponding polysubstituted pyrrole-4-carboxylic acids 2 а-е using sodium hypochlorite as an oxidizer. Further, they were transformed into the target compounds with a high yield using the cyclocondensation with N-mono- or N,N-disubstituted thiosemicarbazides in the boiling phosphorus trichloroxide. As seen from the screening of antimicrobial activity, the synthesized compounds exhibit the inhibiting and bactericide activity against some bacteria and fungi. The highest activity has been established for the compounds 3 a, c, e-h, j against the strain Klebsiella pneumoniae (МІС=31.25 µg/mL). The calculated HOMO energy level proves that the compound 3 с is the most reactive ligand for the interaction with a protein receptor. The molecular docking data show that the compound 3 h has the highest affinity to the ThiM Klebsiella pneumoniae kinase. DOI: 10.5267/j.ccl.2024.3.005 Keywords: 5-Chloro-4-formyl-1H-pyrrole-3-carboxylates, 4-(1,3,4-Thiadiazol-2-yl)pyrroles, Antimicrobial activity, DFT calculation, Docking | |
Open Access Article | |
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Inhibition activity of triazoles as a new family for the inhibition of the Indoleamine 2,3-dioxygenase 1 IDO1 protein using 2D-QSAR approach
, Online first: March, 2024 Khadija Zaki, Fatimazahra Fakir, Abdelouahid Sbai, Hamid Maghat, Mohammed Bouachrine and Tahar Lakhlifi PDF (2300 K) |
Abstract: Protein IDO1 (indoleamine 2,3-dioxygenase) occupies a critical position in the regulation of the immune system and is involved in cancer progression and the development of immune diseases. Being a therapeutic target for such critical diseases, we aimed to investigate the IDO1 inhibition activity of thirty-nine triazole derivatives using a quantitative structure-activity relationship. The dataset was under principal component analysis, multiple linear regression, and multiple non-linear regression from which two models were generated. The best 2D-QSAR model was generated using linear regression, demonstrating a determination coefficient of R2=0.680, a good acceptable internal cross-validated coefficient of R2cv=0.700, an error of MSE=0.074, and a good predictive potential of R2test=0.809. The QSAR model was further investigated using the applicability domain, which showed that all molecules were within the applicability domain, hence the absence of an outlier. Overall, the obtained results provide a reliable and highly predictive model for the design and prediction of new IDO1 inhibitors thereby influencing cancer progression and autoimmune disease development. DOI: 10.5267/j.ccl.2024.3.004 Keywords: IDO1, 2D QSAR, PCA, MLR, MNLR | |
Open Access Article | |
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Buckminsterfullerene fragments used as hydrogen carrier: Case of corannulene derivatives
, Online first: March, 2024 Siham Naima Derrar and Ossama Rafai PDF (2300 K) |
Abstract: Buckminsterfullerene fragments are interesting to use in hydrogen adsorption because of the suitable properties possessed by their concave structure. In the present paper, adsorption of hydrogen on the bowl-shaped corannulene and its derivatives is investigated. Both electron donor and electron acceptor are explored in the substitution and 28 derivatives are generated. DFT calculations are performed by means of WB97XD functional. The substitution number and the substitution nature of corannulene derivatives are analyzed through results based on several parameters. Besides bowl depth and equilibrium distance, also charge distribution and some reactivity indices, based on MEDT, are reported. Results show that a newly created charge distribution contributes to a better binding process. DOI: 10.5267/j.ccl.2024.3.003 Keywords: Binding energy, Corannulene, Hydrogen adsorption, Buckybowl, Buckminsterfullerene | |
Open Access Article | |
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Design, synthesis and characterization of new azoflavone derivatives through diazotisation - coupling reactions of aromatic amines (sulfanilic acid, 2-amino pyridine)
, Online first: March, 2024 Hadi Aqel Khdera PDF (2300 K) |
Abstract: In this research, new azochalcone derivatives (6, 7) were synthesized by using three methods: the first one is diazotization - coupling method of different aromatic amines (sulfanilic acid, 2-aminopyridine) with chalcone (5), the second, aldol condensation method of azoaryl hydroxyacetophenone compounds with 4-dimethylamino benzaldehyde in presence of sodium hydroxide as a catalyst, the last one is method of aldol condensation of azoaryl hydroxyacetophenone compounds with 4-dimethylaminobenzaldehyde in presence of piperidine as an organic catalyst. The yield was the best by using the aldol condensation method with sodium hydroxide as a catalyst. New azoflavone derivatives (8, 9) with good yields (78-84 %) were also synthesized by performing cyclization reactions of azochalcone derivatives using iodine in dimethyl sulfoxide. The identity of the new compounds was determined using spectroscopic methods (FT-IR, 13C-NMR, 1H-NMR). DOI: 10.5267/j.ccl.2024.3.002 Keywords: Azochalcone, Azoflavone, Diazotisation-coupling reaction, Cyclization, Aldol condensation | |
Open Access Article | |
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Ionic liquid mediated efficient synthesis of 2,4,5-triarylimidazoles via green economical multicomponent reaction
, Online first: March, 2024 Ramesh A. Mokal and Suresh C. Jadhavar PDF (2300 K) |
Abstract: In the present work, a new protocol was developed for the synthesis of 2,4,5-triaryl imidazoles via three component condensation of aryl aldehyde, benzil and ammonium acetate in the presence of 1-butyl-3-methyl-imidazolium hexafluoro phosphate ([BMIM][PF6]) as a catalyst under reflux in ethanol. The present protocol has many beneficial advantages such as excellent yields, easy workup procedure, green catalyst and purification of the targeted molecules without the use of column chromatography which increases the green chemistry value of the present work. DOI: 10.5267/j.ccl.2024.3.001 Keywords: 2,4,5-triaryl imidazole, Benzil, 1-butyl-3-methyl-imidazolium hexafluoro phosphate, multicomponent reaction Supplementary data PDF (4600 K) | |
Open Access Article | |
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Review: Instrumental analytical techniques for evaluating some anti-infective drugs in pharmaceutical products and biological fluids
, Online first: February, 2024 Mahmoud M. Sebaiy, Sobhy M. El-Adl, Alaa Nafea, Amr A. Mattar, Mokhtar A. Abdul-Malik, Shaban A. A. Abdel-Raheem and Samar S. Elbaramawi PDF (2300 K) |
Abstract: Quality and safety of drugs are essential for effective therapeutic performance. Impurities can compromise the quality and safety of drugs, and they can arise during various stages of the development, production, storage and even transportation process. Therefore, detecting and measuring the number of impurities with high accuracy in drugs is necessary to ensure the quality and safety of drugs and to reduce the risks associated with taking them. Detecting and measuring impurities in drugs require advanced analytical techniques. The review highpoints a variety of analytical chemistry techniques include spectrophotometric and chromatographic methods in addition to some electrochemistry methods that have been applied for determination of certain drugs such as Ciprofloxacin, Metronidazole, Hydroxychloroquine and Cefotaxime in their pure form, combined form with other drugs, combined form with degradation products, and in biological fluids. DOI: 10.5267/j.ccl.2024.2.009 Keywords: Anti-infective drugs, Ciprofloxacin, Metronidazole, Hydroxychloroquine, Cefotaxime | |
Open Access Article | |
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Modeling study of adsorption isotherms of chlorantraniliprole and dinotefuran on soil
, Online first: February, 2024 Ahmed F. El-Aswad, Mohamed R. Fouad, Mohamed E. I. Badawy and Maher I. Aly PDF (2300 K) |
Abstract: Knowledge of pesticide adsorption characteristics is essential to predict their behavior in soil. The adsorption equilibrium isotherms of two insecticides chlorantraniliprole (CAP) and dinotefuran (DNF) on two common Egyptian soil types, clay loam and sandy loam were studied and modeled. To predict the adsorption isotherms and to determine the adsorption parameters, ten isotherm models: Langmuir (five linear forms), Freundlich, Temkin, Dubinin-Radushkevich, Elovick, Fowler-Guggenheim, Kiselev, Jovanoic, Harkins-Jura, and Halsey were applied on experimental data. The results revealed that the adsorption isotherm models fitted the data in the order of Halsey > Freundlich > Jovanoic > Langmuir isotherme. The models of Harkins-Jura, Elovich, Temkin, and Fowler-Guggenheim are not applicable to predict the adsorption isotherms of the tested insecticides. In order to determine the best-fit isotherm, the correlation coefficient (R2), comparing the experimental (exp) and calculated (cal) adsorption data, and a normalized standard deviation (Δg%) were used to evaluate the data. Therefore, the isotherm models Halsey and Freundlich could be used to predict the adsorption characteristics of CAP and DNF in the common Egyptian soil types, clay loam and sandy loam. Consequently, the mathematical models Halsey, Freundlich, and Jovanoic can describe the fate of CAP and DNF and can be used to control Egyptian soil contamination. DOI: 10.5267/j.ccl.2024.2.008 Keywords: Adsorption, Isotherm models, Chlorantraniliprole, Dinotefuran, Soil | |
Open Access Article | |
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Psidium guajava extract-mediated iron, vanadium, and silver ternary oxide nanoparticles for sustainable antibacterial applications
, Online first: February, 2024 Rachel O. Okojie, Esther U. Ikhuoria, Ita E. Uwidiab, Ikhazuagbe H. Ifijen and Ikechukwu D. Chikaodili PDF (2300 K) |
Abstract: This study investigated the antimicrobial potential and structural characteristics of Fe-Ag-V nanoparticles synthesized from Psidium guajava leaves extract. The nanoparticles demonstrate significant antimicrobial efficacy against bacterial strains, including Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, and Bacillus cereus, with low Minimum Inhibitory Concentration (MIC) and Minimum Bactericidal Concentration (MBC) values. Synthesized eco-consciously, they offer promise in combating infections while supporting sustainability goals. Structural analysis via X-ray diffraction (XRD) and Dynamic Light Scattering (DLS) confirms their face-centered cubic (FCC) crystal structure and rod-like morphology with internal pores, suggesting diverse applications. DLS revealed an average particle diameter of approximately 94.59 nm, enhancing reactivity in catalysis and drug delivery. This study emphasizes the antimicrobial efficacy and structural attributes of Psidium guajava Extract-Derived Fe-Ag-V nanoparticles, suggesting their potential across scientific disciplines, from medicine to materials science, for combating infectious diseases sustainably. DOI: 10.5267/j.ccl.2024.2.007 Keywords: Ternary oxides of Fe-Ag-V, Nanoparticles, Psidium guajava extract, Antibacterial | |
Open Access Article | |
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Efficient synthesis and characterization of new ligand and their transition metal complexes derived from 4-methyl-1,2,3-thiadiazoles-5-carboxylic acid hydrazide
, Online first: February, 2024 Amol D. Kale, Ram B. Kohire, Gautam P. Sadawarte, Rajendra P. Phase and Vasant B. Jagrut PDF (2300 K) |
Abstract: Synthesis of the new metal complexes, by allowing the condensation of Ligand, HL, (E)-N'-(2-hydroxy-5-methoxybenzylidene)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide (3) with some transition metals. Here an attempt is also made to compare reported conventional methods with microwave irradiation for synthesized compounds. Spectroscopic technique, IR, 1H-NMR, C13NMR, elemental analysis and TGA-DTA were used to characterize synthesized ligands and their complexes. The metal complexes were also evaluated for in vitro antimicrobial screening. DOI: 10.5267/j.ccl.2024.2.006 Keywords: Acid hydrazide, Heterocyclic ligand, Metal complexes, Microwave irradiation, Biological activity Supplementary data PDF (4600 K) | |
Open Access Article | |
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Synthesis, characterization and antimicrobial activity of new thioxo tetrahydropyrimidine derivatives
, Online first: February, 2024 M. F. Dhaduk and H. S. Joshi PDF (2300 K) |
Abstract: A sequence of thioxotetrahydropyrimidenes derivatives, N-(4-chloro/methoxyphenyl)-3-formyl-6-methyl-4-aryl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamides (4a-l) were synthesized by the formylation of N-(4-chloro/methoxyphenyl)-6-methyl-4-aryl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamides (3a-l) by dry dimethyl formamide (DMF) and phosphorous oxychloride at room temperature. Formerly, compounds (3a-l) were synthesized by the condensation of N-(4-chloro/methoxyphenyl)-3-oxobutanamide (1), various aromatic aldehydes (2a-f) and thiourea with catalytic amount of concentrated hydrochloric acid under reflux temperature. The structures of the synthesized various thioxotetrahydropyrimidenes have been characterized by using elemental analysis, Infrared, 1H-NMR, 13C-NMR spectroscopy and further supported by Mass spectroscopy. All the products have been screened for their in-vitro biological assay like antibacterial activity towards Gram-positive and Gram-negative bacterial strains and antifungal activity towards Aspergillus niger at a concentration of 40 µg/ml. It was showing that the compounds 4a, 4e, 4g, 4h, 4i and 4l displayed inspirational antibacterial and antifungal activity compared to the used reference standard. DOI: 10.5267/j.ccl.2024.2.005 Keywords: Tetrahydropyrimidines, Antimicrobial Activity, Antifungal Activity, Heterocycles Supplementary data PDF (4600 K) | |
Open Access Article | |
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Synthesis and evaluation of cytotoxic and antimicrobial activity of some 3-aryl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines
, Online first: February, 2024 Abdukhakim Ziyaev, Ekaterina Terenteva, Rasul Okmanov, Sobirdjan Sasmakov, Turdibek Toshmurodov, Umida Khamidova, Muqaddas Umarova and Shakhnoz Azimova PDF (2300 K) |
Abstract: 3-aryl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines were obtained with good yields (81-95%) via the heterocyclization reaction of 1-phenyl-2-((5-aryl-1,3,4-oxadiazole-2-yl)thio)ethane-1-ones in acetic acid. The physicochemical characteristics of the synthesized compounds were established, the structures were confirmed by the data of IR, 1H and 13C NMR spectra, as well as the results of X-ray diffraction analysis. The cytotoxic, antibacterial and antifungal properties of these compounds were evaluated. In vitro screening results showed that compounds 8, 9 and 12 significantly inhibit (54-65%) the growth of HeLa, HBL-100 and CCRF-CEM cancer cell lines. It was found that the cytotoxicity of the synthesized compounds increases in the series of oxadiazoltiones (1-4) - S-derivatives (5-8) - triazolothiadiazines (9-12). Compounds 5-16 do not exhibit antimicrobial properties. DOI: 10.5267/j.ccl.2024.2.004 Keywords: Heterocyclization, 5-aryl-1,3,4-oxadiazole-2-thiones, 3-aryl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines, Cytotoxicity, Antimicrobial activity Supplementary data PDF (4600 K) | |
Open Access Article | |
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Synthesis, characterization, and in vitro anticancer evaluation of 2,4 disulfonylsubstituted 5-aminothiazoles
, Online first: February, 2024 Volodymyr Zyabrev, Bohdan Demydchuk, Stepan Pilyo, Victor Zhirnov, Olexandr Liavynets and Volodymyr Brovarets PDF (2300 K) |
Abstract: Novel 2,4-disulfonylsubstituted 5-aminothiazoles were synthesized and their anticancer activity was assessed at a high dose (10 μM) against NCI 60 cancer cell lines. Compounds 24 and 25 showed the antiproliferative activity with mean growth inhibition about 66.0%. Replacing 4-hydroxypiperidine 24 with the more hydrophilic N-methyl piperazine 25 increased the number of sensitive cell lines while replacing these hydrophilic groups with lipophilic ones abolished the anticancer activity. The COMPARE analysis showed that the tested compounds had a moderate positive correlation with alkylating agents (CCNU and methyl CCNU) and with a purine nucleotide biosynthesis inhibitor analog (L-cysteine). The results indicate that the above mechanisms of antitumor action of standard compounds are not the main ones for the tested compounds due to the lack of a high correlation. The results of this study allow us to consider compounds 24 and 25 as a basis for their further functionalization to obtain more active compounds. DOI: 10.5267/j.ccl.2024.2.003 Keywords: 4-Arylsulfonyl-1,3-thiazoles, Design, Synthesis, Anticancer activity, COMPARE correlations | |
Open Access Article | |
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Facile ZnO NPs catalyzed synthesis of substituted 4-amino-6-(1H-benzimidazol-2-ylsulfanyl)benzene-1,3-dicarbonitrile new derivatives as Potent biological agents
, Online first: February, 2024 R. Champa, K. A. Vishnumurthy, Yadav D. Bodke, H. S. BhojyaNaik, IttePushpavathi, N. D. Satyanarayan and B. N. Nippu PDF (2300 K) |
Abstract: This study focuses on the efficient synthesis of series of substituted 4-amino-6-(1H-benzimidazol-2-ylsulfanyl) benzene-1,3-dicarbonitrile derivatives synthesized from aldehydes, propanedinitrile, substituted thiols and catalyzed by ZnO nanoparticles (ZnONPs). All the synthesized compounds have been characterized using different spectroscopic techniques such as FT-IR, 1H-NMR, C13-NMR and Mass. The compounds were evaluated for potential pharmacological applications, including antimicrobial, α-amylase inhibitory and anticancer activities. Computational calculations, DFT, in-silico molecular docking, and ADME-toxicologystudies were performed. ADMET studies indicated that all synthesized compounds adhered to Rule of five with good bioavailability. This research underscores the promising pharmacological prospects of the synthesized newbenzimidazole derivatives. DOI: 10.5267/j.ccl.2024.2.002 Keywords: Benzimidazole derivatives, Cytotoxicity, Antimicrobial, Anti-diabetic, DFT, Molecular docking, ADME-toxicology study | |
Open Access Article | |
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Synthesis, characterization and biological activities of NiO-cellulose nanocomposite
, Online first: February, 2024 Anshu Tamta, Rajesh Kumar, Vinita Gouri, Rajendra Joshi, Bhuwan Chandra and Narain Datt Kandpal PDF (2300 K) |
Abstract: NiO cellulose nanocomposite (NiO-CN) were synthesized by the precipitation method and characterized by X-Ray diffraction (XRD), Transmission Electron Microscope (TEM), Scanning Electron Microscope (SEM), Energy Dispersive X-ray (EDX) analysis, Fourier transform infrared (FTIR) measurements and UV–vis spectroscopy. The particles obtained have an average size of 20-30 nm as shown by TEM analysis. Fourier transform infrared (FTIR) measurements were carried out to identify the possible biomolecules responsible for the capping and stabilization of the nickel oxide nanoparticles synthesized by milk. The presence of elements in the nanoparticles was also analysed by Energy Dispersive X-ray (EDX) analysis. The results of EDX analysis show the weight percentages of C, O, Ni, and N-elements in the synthesized material were 41.65%, 52.49%, 3.81%, and 2.06%, respectively. Scanning Electron Microscope (SEM) has been used to assess the morphology of the nanoparticle. The effects of NiO-cellulose nanocomposite are screened for biological activities like, antibacterial activity was done by the Disc diffusion method. The bacterial organisms used in this study were Bacillus subtilis, Salmonela abony, Staphylococcus aureus and Escherichia coli. The observed inhibition zone for these microorganisms was found to be a minimum of 3.0 mm and a maximum of 22.0 mm. Moreover, This NiO-CN also decreases the 50% load of Leishmania donovani via MTT assay with 25µg/ml concentration after 72 hours incubation. DOI: 10.5267/j.ccl.2024.2.001 Keywords: Nanocomposite. Cellulose. Biological activities, Antibacterial, Antileishmanial | |
Open Access Article | |
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Sulfated tungstate: A highly efficient, recyclable and ecofriendly catalyst for synthesis of Flavones under the solvent-free conditions
, Online first: January, 2024 Ajit P. Ingale, Santosh T. Shinde and Nitin M. Thorat PDF (2300 K) |
Abstract: Sulfated tungstate efficiently catalyzes the cyclodehydration of 1-(2-hydroxyphenyl)-3-aryl-1,3-propanediones to flavones under solvent-free conditions. Utilization of conventional heating, simple reaction conditions, short reaction time, ease of product isolation and purification makes this manipulation very interesting from an economic and environmental perspective. Under these conditions, twelve examples were obtained with good yields (85-94%). DOI: 10.5267/j.ccl.2024.1.006 Keywords: Flavones, Sulfated tungstate, Solvent-free, Recyclable and ecofriendly catalyst | |
Open Access Article | |
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An overview of the anticancer activity of some mononuclear and polynuclear platinum(II) complexes
, Online first: January, 2024 Sheetal Giri, Ajay Singh and K. Kumar PDF (2300 K) |
Abstract: A famous cisplatin anticancer agent is one of the most widely used chemotherapeutics for treating several human solid tumors. Toxicity of the normal cell is a life-threatening issue that restricts the therapeutic potential of cisplatin complex as an anticancer drug. Even though every year thousands of cisplatin-based analogs have been prepared, screened, and reported, only very few compounds entered the medical trials. Hence, new research work is still sensible. In the last few years, many mononuclear and polynuclear platinum complexes have been considerably investigated, in vitro and in vivo studies evaluated, with some compounds demonstrating significant anticancer potential. In this review, various mono-metallic and poly-metallic platinum‐based complexes with various derivatives used as ligands that have anticancer potential are defined and numerous typical examples are discussed briefly. Present investigation, numerous mononuclear cisplatin derivatives exhibited greater anticancer potency than the parent cisplatin drug. However, polynuclear cisplatin derivatives showed much better anticancer activity than mononuclear cisplatin analogs against various cancer cell lines. DOI: 10.5267/j.ccl.2024.1.005 Keywords: Cancer, Platinum, Metal Complexes, Drug Design, Anticancer Activity | |
Open Access Article | |
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Enhancing the dynamic mechanical properties of thermoplastic elastomers: A study on polypropylene /natural rubber blends
, Online first: November, 2023 Egharevba Owen, Ong Siew Kooi, Okieimen Felix Ebhodaghe and Ifijen Ikhazuagbe Hilary PDF (2300 K) |
Abstract: The aim of this study was to investigate the modifications of the mechanical properties of polypropylene (PP) by incorporating elastomers, while considering the impact on its stiffness. Specifically, the research focused on determining the optimal loading of elastomer to achieve desirable properties and exploring the influence of these processes on the morphology and mechanical behavior of the prepared blends. Thermoplastic elastomers (TPEs) consisting of polypropylene and natural rubber (PP/NR) were prepared using a melt-mixing process, and the mechanical properties of the blends were evaluated. The stress-strain properties of the blends revealed a successful modification of PP, transforming it from a stiff and strong thermoplastic into a stiff and tough thermoplastic elastomer when 10% NR was included in the PP matrix. As the loading of NR increased, a reduction in tensile strength (TS) and modulus (E) of the blends was observed, while elongation at break (EB) increased. The flexural strength of unmodified PP was 45.9 MPa, which decreased with increasing NR loading. Similarly, the impact strength of unmodified PP was 25.8 KJ/m2, whereas the values for 10%, 20%, 30%, and 40% NR inclusion were 30.8, 24.3, 20.6, and 15.2 KJ/m2, respectively. The melt flow index (MFI) of unmodified PP was 14.1 g/10 min, while the values for 10%, 20%, 30%, and 40% NR inclusion were 19.4, 15.7, 11.6, and 10.2 g/10 min, respectively. The best combination of mechanical properties was observed at 10% NR inclusion in the PP matrix. The micrograph of the blends, as observed from SEM micrographs, supported the modification of PP, resulting in the production of TPE with observable adhesion sites, indicating good compatibility between the components. In a nutshell, a significant 47% increase in impact strength was achieved through the modification process. DOI: 10.5267/j.ccl.2023.11.002 Keywords: Polypropylene, Natural rubber, Thermoplastic elastomer, Mechanical properties |
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