2018
DOI: 10.1016/j.biopha.2018.04.061
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In vitro screening, homology modeling and molecular docking studies of some pyrazole and imidazole derivatives

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Cited by 67 publications
(36 citation statements)
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“…Also a very low percentage 0.0% of residues was seen in the disallowed white color regions (due to large distance from the enzyme's active site). In the present case, the G-factors are found above the unusual values, which give information about the quality of dihedral, overall bond angles and covalency of residues [44].…”
Section: Resultssupporting
confidence: 47%
“…Also a very low percentage 0.0% of residues was seen in the disallowed white color regions (due to large distance from the enzyme's active site). In the present case, the G-factors are found above the unusual values, which give information about the quality of dihedral, overall bond angles and covalency of residues [44].…”
Section: Resultssupporting
confidence: 47%
“…For these reasons, a homology study was performed to build a threedimensional structure of this protein based on an already known structure following the procedure described in our previous work. 38 Briefly, the Fgb1 primary residues sequence (accession number Q96VA6) was used as a target. A BLASTp search was carried out to find a suitable template with already known 3D structure for this amino acid sequence.…”
Section: Computational Studies 341 Dft Calculationsmentioning
confidence: 99%
“…However, because of the unavailability of experimental crystal structures of these proteins, homology modeling studies were carried out to construct three-dimensional (3D) structures of Fgb1 and Fophy prior to use in our docking studies. For Fgb1 protein, the model was generated and validated as described previously in our last works [21,22] using the crystal structure of the Rattus norvegicus Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 (3SN6_chain B) as a suitable template. Following the same procedure described for the Fgb1 model, the 3D structure of the Fophy protein was also built.…”
Section: Resultsmentioning
confidence: 99%