2021
DOI: 10.1080/10406638.2021.1981405
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Biological Activity and Molecular Docking Study of Some Bicyclic Structures: Antidiabetic and Anticholinergic Potentials

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Cited by 18 publications
(5 citation statements)
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“…Later each structure was saved as pdb and pdbqt forms according to their torsional angles with Discover Studio Visualizer 4.0 (DSV 4.0) software [82] . The next step, the target receptors were chosen as hCA I/PDB: 2CAB, [83] hCA II/PDB: 5AML, [83] AChE/PDB: 1EVE, [83] BChE (PDB: 5NN0), [84] and α‐Gly (PDB: 1R47‐A and B chains) [79] according to experimental process and literature and 3D‐pdb versions of the receptors were downloaded from Protein Data Bank (RCSB) [85] . The heteroatoms in the five targets were removed, the polar hydrogen charges were added, and the data was re‐recorded in pdb form by using Discover Studio Visualizer 4.0 (DSV 4.0) software [85] .…”
Section: Resultsmentioning
confidence: 99%
“…Later each structure was saved as pdb and pdbqt forms according to their torsional angles with Discover Studio Visualizer 4.0 (DSV 4.0) software [82] . The next step, the target receptors were chosen as hCA I/PDB: 2CAB, [83] hCA II/PDB: 5AML, [83] AChE/PDB: 1EVE, [83] BChE (PDB: 5NN0), [84] and α‐Gly (PDB: 1R47‐A and B chains) [79] according to experimental process and literature and 3D‐pdb versions of the receptors were downloaded from Protein Data Bank (RCSB) [85] . The heteroatoms in the five targets were removed, the polar hydrogen charges were added, and the data was re‐recorded in pdb form by using Discover Studio Visualizer 4.0 (DSV 4.0) software [85] .…”
Section: Resultsmentioning
confidence: 99%
“…| 7 of 17 stored in pdb and pdbqt forms in accordance with their torsional angles. In the next step, the target proteins were chosen as hCAI/ PDB: 2CAB, [60,61] hCAII/PDB: 5AML, [61,62] AChE/PDB: 1EVE, [61,63] BChE (PDB: 5NN0), [64,65] α-Gly (PDB: 1R47-A and -B chains), [65,66] and AR (PDB: 3V36) [67,68] according to experimental process and literature and 3D-pdb versions of the receptors were downloaded from RCSB (Protein Data Bank). [69] Using the software Discover Studio Visualizer 4.0 (DSV 4.0), the hetero atoms in the six targets were eliminated, the polar hydrogen charges were added, and the data were again recorded in pdb format.…”
Section: Molecular Docking Analysismentioning
confidence: 99%
“…Among these parameters, parameters such as Glide ligand efficiency, Glide hbond, Glide evdw, and Glide ecoul are calculated, which show the numerical values of chemical interaction between molecules and antioxidant and enzyme proteins. [45,46] On the other hand, parameters such as Glide emodel, Glide energy, Glide einternal, and Glide posenum that give numerical information about the exposure of the interaction between molecules and antioxidant and enzyme proteins are calculated. [47] The numerical values of these calculated parameters are given in Table 3.…”
Section: Chemistryselect Molecular Docking Calculationmentioning
confidence: 99%