2021
DOI: 10.1016/j.bioorg.2021.104687
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Synthesis, in vitro and computational studies of novel glycosyl-1, 2, 3-1H-triazolyl methyl benzamide derivatives as potential α-glucosidase inhibitory activity

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Cited by 13 publications
(5 citation statements)
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“…However, ZINC02789441 formed more hydrogen bonds compared to CD-59. The MD trajectories obtained for ZINC02789441 were found to be similar to those of CD-59, as well as previously reported studies [30,35]. The visualization of MD trajectories for both ZINC02789441 and acarbose complexed with α-glucosidase are given in Figure 9.…”
Section: Zinc02789441supporting
confidence: 83%
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“…However, ZINC02789441 formed more hydrogen bonds compared to CD-59. The MD trajectories obtained for ZINC02789441 were found to be similar to those of CD-59, as well as previously reported studies [30,35]. The visualization of MD trajectories for both ZINC02789441 and acarbose complexed with α-glucosidase are given in Figure 9.…”
Section: Zinc02789441supporting
confidence: 83%
“…The binding affinity of acarbose was −7.9 kcal/mol. From the perspective of the software used, our study resulted in the same binding interaction pattern as Shukla et al (2021) [30], even though we have used open-source software such as AutoDock Vina 1.1.2., and the latter used the commercial software (Schrodinger Glide module). Therefore, the open-source software AutoDock Vina 1.1.2. is also reliable and equivalent in terms of its efficiency to the commercial software Schrodinger Glide module.…”
mentioning
confidence: 80%
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“…Molecular dynamics simulations of the protein-ligand complexes were performed as per the protocols mentioned in previous studies [31][32][33][34] using the GROMACS 5.1.1 package [35] employing the charmm36-jul2022 force eld [36][37][38][39][40][41]. Ligand topologies were prepared using the CHARMM General Force Field (CGenFF) server [42,43].…”
Section: Molecular Dynamics Simulationmentioning
confidence: 99%
“…The proposed structures were confirmed with IR spectra, HRMS, and element analysis data. The ability of the spin label 31 to bind to azide-containing biomolecules was demonstrated by the reaction with 2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl azide in analogy to the literature protocols [40][41][42]. The reaction of enantiomerically pure galactose derivative with racemic mixture 31 expectedly gave a mixture of diastereomers 32, which was not separated.…”
Section: Synthesismentioning
confidence: 99%