3-Benzyl(phenethyl)-2-thioxobenzo[g]quinazolines as a new class of potent α-glucosidase inhibitors: synthesis and molecular docking study

Abstract

A new class of potent α-glucosidase inhibitors was identified, and the molecular docking predicted plausible binding interaction of the targets in the binding pocket of α-glucosidase and rationalized the structure-activity relationship (SARs) of the target compounds.

Investigation of some benzoquinazoline and quinazoline derivatives as novel inhibitors of HCV-NS3/4A protease: biological, molecular docking and QSAR studies

“…All compounds were previously synthesized and fully characterized. 17,19,21,23 The general procedures for preparation of compounds 7, 8, 14 and 15 were reported, 17,19 however, their characterization data are reported herein for the rst time as following: 3-Methyl-2-hydrazinylbenzo[g]quinazolin-4(3H)-one (7). Yield 70%; mp 284-286 C; 1 H NMR (700 MHz, DMSO- 3-Methyl-2-hydrazinyl-6-methyl-3H-quinazolin-4-one (14).…”

“…In our literature, 17,19,21 the convenient alkyl isothiocyanates were treated with 3-aminonaphthaoic acid to afford the corresponding benzo[g]quinazolines 1-6, that in turn transformed into 7-13 by hydrazinolysis. Similarly, 14-17 were synthesized by hydrazinolysis of their thioxoquinazolines (Scheme 1 and Table 1).…”

“…4A with NS4A/NS4B as the representative peptide. In this study, a molecular modelling model was applied using the molecular operating environment (MOE), to clarify the activity of the targets (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14)(15)(16)(17) and determine their probably bioactive conformations. We found important subsites for the HCV NS3/4A inhibition by three-dimensional telaprevir-complexed structure (PDB: 3SV6, resolution 1.4Å), 22 which was obtained from the PDB database, and the validation of the molecular docking protocol done by molecular redocking, with a position structure of RMSD lower than 2Å ( Fig.…”

“…7 Benzoquinazoline, a drug of immense research interest, has found a conspicuous place in medicinal chemistry owing to its diverse pharmacological properties. [15][16][17][18][19][20] Many benzoquinazolines were reported to show anti-HSV, -CVB4, viral activity and demonstrated promising 3C protease inhibition activity against HAV with IC 50 values of 3.30, 5.92, and 22.38 mM, respectively. 15,18 The results encouraged us to extend our research on benzoquinazolines chemistry to investigate their activity against HCV.…”

Synthesis and biological evaluation of 4-(1H-1,2,4-triazol-1-yl)benzoic acid hybrids as anticancer agents

“…Unambiguous conrmation of all products was nally achieved by clear identication of the 1 H and 13 C resonances of the accompanying functional groups or moieties, such as -SCH 3 , -SO 2 CH 3 , -OPh, benzyl, and phenethyl, and through comparison with data of structurally related compounds. [19][20][21][22][23][24]…”