Spectra of the synchronous fluorescence of BSA (100 μg.mL^-1) with the addition of AFB (a-f) = (0, 0.5, 1.0, 3.0, 5.0 and 10.0 μg.mL^-1) at (a) Δλ = 15 nm (b) Δλ = 60 nm.

<p>Spectra of the synchronous fluorescence of BSA (100 μg.mL^-1) with the addition of AFB (a-f) = (0, 0.5, 1.0, 3.0, 5.0 and 10.0 μg.mL^-1) at (a) Δλ = 15 nm (b) Δλ = 60 nm.</p

3D spectra of BSA (100 μg.mL^-1) in (a) absence and (b) presence of AFB (5 μg.mL^-1).

<p>3D spectra of BSA (100 μg.mL^-1) in (a) absence and (b) presence of AFB (5 μg.mL^-1).</p

Chemical structure of AFB (a) and ribbon representation of BSA (b).

<p>Chemical structure of AFB (a) and ribbon representation of BSA (b).</p

Emission spectra of BSA (100 μg.mL^-1) only (1) and following BSA binding to AFB at a concentration series of 0.3 μ g.mL^-1 (2), 0.4 μg.mL^-1 (3), 0.5 μg.mL^-1 (4), 1.0 μ g.mL^-1 (5), 3.0 μg.mL^-1 (6), 5 μg.mL^-1 (7), 7.0 μg.mL^-1 (8) and 10 μg.mL^-1(9).

<p>Emission spectra of BSA (100 μg.mL^-1) only (1) and following BSA binding to AFB at a concentration series of 0.3 μ g.mL^-1 (2), 0.4 μg.mL^-1 (3), 0.5 μg.mL^-1 (4), 1.0 μ g.mL^-1 (5), 3.0 μg.mL^-1 (6), 5 μg.mL^-1 (7), 7.0 μg.mL^-1 (8) and 10 μg.mL^-1(9).</p

A representative Van’t Hoff plot for AFB-BSA binding.

<p>A representative Van’t Hoff plot for AFB-BSA binding.</p

Stern–Volmer (a) and Lineweaver–Burk (b) plots at various temperatures.

<p>Stern–Volmer (a) and Lineweaver–Burk (b) plots at various temperatures.</p

Unusual Sulfuric Acid-Induced Thiol Oxidation on Dehydrative Cyclization of Potassium <i>N′</i>-(1-Adamantylcarbonyl)Dithiocarbazate at Room Temperature

<div><p></p><p>The dehydrative cyclization of potassium N′-(1-adamantylcarbonyl)dithiocarbazate <b>4</b> with sulfuric acid was studied under several conditions. Treatment of compound <b>4</b> with sulfuric acid at room temperature yielded a separable mixture of 5-(1-adamantyl)-1,3,4-thiadiazole-2-thiol <b>5</b> and 1,2-bis[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]disulfide 6. The reaction product (5:6) ratio was found to be time and temperature dependent. Thiol <b>5</b> was obtained as the sole product on dehydrative cyclization of <b>4</b> at 0°C. Meanwhile, disulfide <b>6</b> was obtained as the major product (55%) on carrying out the reaction at room temperature for 36 h, in addition to thiol <b>5</b> as a minor product (16%). The structure of the oxidized thiol <b>6</b> was confirmed by ¹H and ¹³C NMR, HR-MS, and independent synthesis via oxidation of thiol <b>5</b> with dimethylsulfoxide.</p> <p>[Supplementary materials are available for this article. Go to the publisher's online edition of <i>Phosphorus, Sulfur, and Silicon and the Related Elements</i> for the following free supplemental files: Additional text and figures.]</p> </div

Data_Sheet_2_Synthesis, Antiviral, and Antimicrobial Evaluation of Benzyl Protected Diversified C-nucleosides.PDF

<p>Formyl glycals are the versatile synthetic intermediates and can serves as precursor for the synthesis of various C and N-nucleosides. Due to the presence of electron donating and electron withdrawing character on formyl sugars which makes the molecule more susceptible to nucleophilic attack. Utilizing same strategy, we propose the synthesis of diversified C-nucleosides (3-14) by reaction with N,N dinucleophiles. These nucleoside analogs were than tested against viral, bacterial and fungal strains.</p

Synthesis, antitumor and antimicrobial activity of some new 6-methyl-3-phenyl-4(3<i>H</i>)-quinazolinone analogues: <i>in silico</i> studies

<p>Some new derivatives of substituted-4(3<i>H</i>)-quinazolinones were synthesized and evaluated for their <i>in vitro</i> antitumor and antimicrobial activities. The results of this study demonstrated that compound <b>5</b> yielded selective activities toward NSC Lung Cancer EKVX cell line, Colon Cancer HCT-15 cell line and Breast Cancer MDA-MB-231/ATCC cell line, while NSC Lung Cancer EKVX cell line and CNS Cancer SF-295 cell line were sensitive to compound <b>8</b>. Additionally, compounds <b>12</b> and <b>13</b> showed moderate effectiveness toward numerous cell lines belonging to different tumor subpanels. On the other hand, the results of antimicrobial screening revealed that compounds <b>1</b>, <b>9</b> and <b>14</b> are the most active against <i>Staphylococcus aureus</i> ATCC 29213 with minimum inhibitory concentration (MIC) of 16, 32 and 32 μg/mL respectively, while compound <b>14</b> possessed antimicrobial activities against all tested strains with the lowest MIC compared with other tested compounds. <i>In silico</i> study, ADME-Tox prediction and molecular docking methodology were used to study the antitumor activity and to identify the structural features required for antitumor activity.</p

Synthesis, antitumor activity and molecular docking study of some novel 3-benzyl-4(3H)quinazolinone analogues

<div><p></p><p>A novel series of 3-benzyl-substituted-4(3<i>H</i>)-quinazolinones were designed, synthesized and evaluated for their <i>in vitro</i> antitumor activity. The results of this study demonstrated that 2-(3-benzyl-6-methyl-4-oxo-3,4-dihydroquinazolin-2-ylthio)-<i>N</i>-(3,4,5-trimethoxyphenyl)acetamide, 2-(3-benzyl-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-ylthio)-<i>N</i>-(3,4,5-trimethoxyphenyl)acetamide and 3-(3-benzyl-6-methyl-4-oxo-3,4-dihydroquinazolin-2-ylthio)-<i>N</i>-(3,4,5-trimethoxyphenyl)-propanamide have shown amazing broad spectrum antitumor activity with mean GI₅₀ (10.47, 7.24 and 14.12 µM. respectively), and are nearly 1.5–3.0-fold more potent compared with the positive control 5-FU with mean GI₅₀, 22.60 µM. On the other hand, compounds <b>6</b> and <b>10</b> yielded selective activities toward CNS, renal and breast cancer cell lines, whereas compound <b>9</b> showed selective activities towards leukemia cell lines. Molecular docking methodology was performed for compounds <b>7</b> and <b>8</b> into ATP binding site of EGFR-TK which showed similar binding mode to erlotinib, while compound <b>11</b> into ATP binding site of B-RAF kinase inhibited the growth of melanoma cell lines through inhibition of B-RAF kinase, similar to PLX4032.</p></div