Synthesis,characterization, antibacterial evaluation, 2D-QSAR modeling and molecular docking studies for benzocaine derivatives

Molecular Diversity - Possible application of incorporating a well-known drug (benzocaine) with cyanoacetamide function to get a powerful synthon ethyl 4-cyanoacetamido benzoate. This synthetic...     

Aluminum(III)-Selective Screen Printed Sensor Based on Methyl Red

Russian Journal of Electrochemistry - Modified screen printed electrode (MSPE) with 2-[[4-(dimethyl amino) phenyl] diazenyl] benzoic acid (Methyl Red) was prepared for determination of aluminum...     

Antibacterial,DFT and molecular docking studies of metformin complex as active material for the fabrication of copper (II) selective potentiometric sensor

The prepared and characterized metformin ‐copper (II) complex was used as elecroactive material for modification of a new sensitive and selective modified carbon paste electrode (MCPE) for the potentiometric determination of copper (II) in water samples. The performance characteristics of MCPE were carried out. The electrode showed perfect potentiometric response for Cu (II) over concentration range of 1.0 × 10^?6 – 5.0 × 10^?2 mol L^?1 with a detection limit of 1.0 × 10^?6 mol L^?1 with divalent slope value 30.8 ± 0.92 mV decade^?1 over the pH range of 2–6 and exhibits fast response time of 9 s. Also, this electrode exhibited good selectivity towards Cu (II) ions with respect to other metal ions. The obtained results using the proposed electrode were in a good agreement with those obtained using the inductively coupled plasma (ICP) method.     

Cyclization of N-benzyl cyanoacetamide: Novel synthesis and biological activity of pyrrole,pyrimidine, and pyran derivatives

Heteroannulation of N-Benzyl cyanoacetamide 1 to a new series of heterocycles has been developed. Thus, reaction of 1 with different polarized π systems afforded pyrrolo 4 , pyridone 6 , pyridine 8 , and diazapene 10 derivatives, respectively. N-Benzyl cyanoacetamide that undergo condensation reaction with salicylaldehyde yielded pyran derivative 11 . Nitrosation of 11 furnished condensed pyran 13 . Compound 11 reacted with benzaldehyde, carbon disulfide (cyclizing agent), and ammonium thiocyanate to provide pyrane 17 , thiazine 18 , and thiourea 20 derivatives, respectively. Cinnamoyl isothiocyanate was reacted with compound 11 to produce non-isolable thiourea derivative 21 . The newly synthesized compounds have been characterized by infrared (IR), proton nuclear magnetic resonance (¹H NMR), and carbon nuclear magnetic resonance (¹³C NMR) spectral data. The compounds were then evaluated for antibacterial and anticancer activities.     

Metal complexes of fenoterol drug

Metal complexes of fenoterol (FEN) drug are prepared and characterized based on elemental analyses, IR, ¹H NMR, magnetic moment, molar conductance, and thermal analyses (TG and DTA) techniques. From the elemental analyses data, the complexes are formed in 1:2 [Metal]:[FEN] ratio and they are proposed to have the general formula [Cu(FEN)₂]·2H₂O; [M(FEN)₂(H₂O)₂]·yH₂O (where M = Mn(II) (y = 2), Co(II) (y = 4), Ni(II) (y = 4), and Zn(II) (y = 0) and [Cr(FEN)₂(H₂O)₂]Cl·H₂O. The molar conductance data reveal that all the metal chelates are non-electrolytes except Cr(III) complex, having 1:1 electrolyte. IR spectra show that FEN is coordinated to the metal ions in a uninegative bidentate manner with ON donor sites of the aliphatic –OH and secondary amine –NH. From the magnetic moment measurements, it is found that the geometrical structures of these complexes are octahedral (Cr(III), Mn(II), Co(II), Ni(II), and Zn(II)) and square planar (Cu(II)). The thermal behavior of these chelates is studied using thermogravimetric and differential thermal analyses (TG and DTA) techniques. The results obtained show that the hydrated complexes lose water molecules of hydration followed immediately by decomposition of the coordinated water and ligand molecules in the successive unseparate steps. The FEN drug, in comparison to its metal complexes is also screened for their antibacterial activity against bacterial species (Bacillus subtilis, Staphylococcus aureus, Escherichia coli, and Salmonella typhi), Yeasts (Candida albicans and Saccharomyces cervisiae), and Fungi (Aspergillus niger and Aspergillus flavus). The activity data show that the metal complexes have antibacterial activity like that of the parent FEN drug against one or more species.     

Synthesis,characterization, and thermal analysis of ternary complexes of nitrilotriacetic acid and alanine or phenylalanine with some transition metals

Ternary complexes of Co(II), Ni(II), Cu(II), and Zn(II) with nitrilotriacetic acid as a primary ligand and alanine or phenylalanine as secondary ligand were prepared in slightly acidic medium. The structures of the complexes were elucidated using elemental, IR, molar conductance, magnetic moment, UV–Vis spectrophotometry, and thermal analyses. The ternary complexes were isolated in 1:1:1 (M:HNTA:alaH) ratios, and the molecular structures were found to be [M(HNTA)(alaH)(H₂O)₂]. Thermogravimetric analysis confirmed this structure and that the water present is coordinated to the central metal atom. UV–Vis spectra showed that the complexes have octahedral symmetry.     

Phenolic compounds from Eucalyptus gomphocephala with potential cytotoxic and antioxidant activities

Two new phenolic compounds, 2,4,6-trihydroxy-5-methyl-acetophenone 2-O-beta-D-glucopyranoside (3), and benzyl alcohol 7-O-(3',4',6'-tri-O-galloyl)-beta-D-glucopyranoside (8), together with eight known phenolic compounds, were isolated from the 70% aqueous acetone extract of Eucalyptus gomphocephala DC. (Myrtaceae). The isolated compounds were elucidated based on their 1H, 13C, DQF-COSY, selective 1D-TOCSY, HSQC, and HMBC NMR spectroscopic and ESI-MS data. The antioxidant effect of the phenolic compounds was tested using 1,1-diphenyl-2-picrylhydrazyl (DPPH), hydroxyl radical and super oxide anion radical scavenging assays. The cytotoxicity of the isolated compounds was evaluated using HeLa cell line.     

Facile Access to Benzothiazole‐Containing Pyrrolo[1,2‐a]quinolines and Pyrrolo[2,1‐a]isoquinolines via Nitrogen Ylides

Quinoline and isoquinoline react with 2‐(bromoacetyl)benzothiazole ( 1 ) in dry benzene to give the corresponding quinolinium and isoquinolinium salts 2 and 10 which undergo base‐mediated [3+2] 1,3‐dipolar cycloaddition with some acetylene and ethylene derivatives to give the corresponding benzothiazole‐containing pyrrolo[1,2‐a]quinoline and pyrrolo[2,1‐a]isoquinoline derivatives.     

Design,Synthesis and Anticancer Evaluation of Substituted Cinnamic Acid Bearing 2-Quinolone Hybrid Derivatives

A new series of hybrid molecules containing cinnamic acid and 2-quinolinone derivatives were designed and synthesized. Their structures were confirmed by ¹H-NMR, ¹³C-NMR and mass analyses. All the synthesized hybrid molecules were assessed for their in vitro antiproliferative activity against more than one cancer cell lines. Compound 3-(3,5-dibromo-7,8-dihydroxy-4-methyl-2-oxoquinolin-1(2H)-ylamino)-3-phenylacrylic acid (5a) with IC₅₀ = 1.89 μM against HCT-116 was proved to the most potent compound in this study, as compared to standard drug staurosporin. DNA flow cytometry assay of compound 5a revealed G2/M phase arrest and pre-G1 apoptosis. Annexin V-FITC showed that the percentage of early and late apoptosis was increased. The results of topoisomerase enzyme inhibition activity showed that the hybrid molecule 5a displays potent inhibitory activity compared with control.     

In vitro antioxidant and antiproliferative activities of six international basil cultivars

The total phenolic, flavonoid and tannin contents in leaves extracts of Ocimum basilicum (OB) (Lamiaceae) international cultivars, as well as their overall antioxidant activities using DPPH and linoleic acid assays, were investigated. Furthermore, the antiproliferative and cytotoxic activities against line HeLa, MCF-7, Jurkat, HT-29, T24, MIAPaCa-2 cancer cells and one normal human cell line HEK-293 were examined. DPPH and linoleic acid assays ranged from 75.8% to 93.3% and from 74.5% to 97.1%; respectively. O. b. ‘purple ruffle’, O. b. ‘dark opale’, O. b. ‘genovese’, O. b. ‘anise’, O. b. ‘bush green’ and O. b. L. (OBL) varied in their antiproliferative and cytotoxic activities, influenced cell cycle progression and stimulated apoptosis in most cancer cells. OBL exhibited the highest antioxidant and antiproliferative activities. OB extracts not only improve taste but also have certain anticancer activity against diverse cancer cells due to the presence of compounds such as rosmarinic acid, chicoric acid and caftaric acid. Thus, OB represents a potent source of anticancer materials.