New indole derivatives as multi-target anti-Alzheimer's agents; synthesis, biological evaluation and molecular dynamics - supporting material final.docx
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posted on 2023-04-26, 08:41 authored by Eman M Azmy, Ibrahim F Nassar, Mohamed Hagras, Iten M Fawzy, Maghawry Hegazy, Mahmoud Mohamed Mokhtar, Amr Mohamed Yehia, Nasser SM Ismail, Walaa H Lashin<p> </p>
<p><strong>S1:</strong> 3D interaction diagram of donepezil, & compound 11 with AChE (4EY7).</p>
<p><strong>S2:</strong> 2D interaction diagram of compounds; donepezil, 5, 7 & 11 with BChE (6QAE).</p>
<p><strong>S3: </strong>2D interaction diagram between NADPH-Oxidase (2CDU) & donepezil, compounds; 5, 7 & 11.</p>
<p><strong>S4:</strong> 3D interaction diagram of donepezil & active Compound 5 with NADPH-Oxidase (2CDU).</p>
<p><strong>S5:</strong> H1-NMR of compound 3</p>
<p><strong>S6:</strong> C13-NMR of compound 3</p>
<p><strong>S7:</strong> Mass spectrum of compound 3</p>
<p><strong>S8:</strong> H1-NMR of compound 4</p>
<p><strong>S9:</strong> C13-NMR of compound 4</p>
<p><strong>S10:</strong> Mass spectrum of compound 4</p>
<p><strong>S11:</strong> H1-NMR of compound 5</p>
<p><strong>S12:</strong> C13-NMR of compound 5</p>
<p><strong>S13:</strong> Mass spectrum of compound 5</p>
<p><strong>S14:</strong> H1-NMR of compound 6</p>
<p><strong>S15:</strong> C13-NMR of compound 6</p>
<p><strong>S16:</strong> Mass spectrum of compound 6</p>
<p><strong>S17:</strong> H1-NMR of compound 7</p>
<p><strong>S18:</strong> C13-NMR of compound 7</p>
<p><strong>S19:</strong> Mass spectrum of compound 7</p>
<p><strong>S20:</strong> H1-NMR of compound 8</p>
<p><strong>S21:</strong> C13-NMR of compound 8</p>
<p><strong>S22:</strong> Mass spectrum of compound 8</p>
<p><strong>S23:</strong> H1-NMR of compound 9</p>
<p><strong>S24:</strong> C13-NMR of compound 9</p>
<p><strong>S25:</strong> Mass spectrum of compound 9</p>
<p><strong>S26:</strong> H1-NMR of compound 10</p>
<p><strong>S27:</strong> C13-NMR of compound 10</p>
<p><strong>S28:</strong> H1-NMR of compound 11</p>
<p><strong>S29:</strong> C13-NMR of compound 11</p>
<p><strong>S30:</strong> Mass spectrum of compound 11</p>
<p><strong>S31:</strong> H1-NMR of compound 12</p>
<p><strong>S32:</strong> C13-NMR of compound 12</p>
<p><strong>S33:</strong> Mass spectrum of compound 12</p>
<p><strong>S34:</strong> H1-NMR of compound 13</p>
<p><strong>S35:</strong> C13-NMR of compound 13</p>
<p><strong>S36:</strong> Mass spectrum of compound 13</p>
<p><strong>S37:</strong> H1-NMR of compound 14</p>
<p><strong>S38:</strong> C13-NMR of compound 14</p>
<p><strong>S39:</strong> Mass spectrum of compound 14</p>
<p><strong>S40:</strong> H1-NMR of compound 15</p>
<p><strong>S41:</strong> C13-NMR of compound 15</p>
<p><strong>S42:</strong> Results of <em>in vitro</em> Biological Evaluation </p>
