Andrew Huckleby | Northeastern State University (original) (raw)
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Università degli Studi di Milano - State University of Milan (Italy)
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Papers by Andrew Huckleby
International Journal of Molecular Sciences
The emergence of resistant bacteria takes place, endangering the effectiveness of antibiotics. A ... more The emergence of resistant bacteria takes place, endangering the effectiveness of antibiotics. A reason for antibiotic resistance is the presence of lactamases that catalyze the hydrolysis of β-lactam antibiotics. An inhibitor of serine-β-lactamases such as clavulanic acid binds to the active site of the enzymes, thus solving the resistance problem. A pressing issue, however, is that the reaction mechanism of metallo-β-lactamases (MBLs) hydrolyzing β-lactam antibiotics differs from that of serine-β-lactamases due to the existence of zinc ions in the active site of MBLs. Thus, the development of potential inhibitors for MBLs remains urgent. Here, the ability to inhibit MBL from Bacillus anthracis (Bla2) was investigated in silico and in vitro using compounds possessing two hydroxamate functional groups such as 3-chloro-N-hydroxy-4-(7-(hydroxyamino)-7-oxoheptyl)benzamide (Compound 4) and N-hydroxy-4-(7-(hydroxyamino)-7-oxoheptyl)-3-methoxybenzamide (Compound 6). In silico docking and ...
Journal of Pharmaceutical Research International
Background: Benzimidazoles are aromatic, heterocyclic organic molecules which exhibit pharmacolog... more Background: Benzimidazoles are aromatic, heterocyclic organic molecules which exhibit pharmacological potential as anti-inflammatory, antiulcer, anti-hypertensive, anticancer agent, and anthelmintic treatments. The benzimidazoles could inhibit human hexokinase II, which is a critical factor in the glycolysis pathway in humans. Methods: Autodock analyses were performed for the initial docking between human hexokinase II and benzimidazoles. To determine the IC50 values by benzimidazole compounds, hexokinase enzyme assay was executed using continuous colorimetric detection. In addition, the insight into binding interactions was revealed primarily by Gromacs molecular dynamics simulations. Results: We tested the most common benzimidazoles such as Fenbendazole, Albendazole, and Mebendazole on the target enzyme hexokinase II. The Autodock vina showed that the binding affinity values were between -7.9 and -6.1 kcal/mol for all three benzimidazoles. The IC50 values were 0.29, 2.5, and 10 μM...
International Journal of Molecular Sciences
The emergence of resistant bacteria takes place, endangering the effectiveness of antibiotics. A ... more The emergence of resistant bacteria takes place, endangering the effectiveness of antibiotics. A reason for antibiotic resistance is the presence of lactamases that catalyze the hydrolysis of β-lactam antibiotics. An inhibitor of serine-β-lactamases such as clavulanic acid binds to the active site of the enzymes, thus solving the resistance problem. A pressing issue, however, is that the reaction mechanism of metallo-β-lactamases (MBLs) hydrolyzing β-lactam antibiotics differs from that of serine-β-lactamases due to the existence of zinc ions in the active site of MBLs. Thus, the development of potential inhibitors for MBLs remains urgent. Here, the ability to inhibit MBL from Bacillus anthracis (Bla2) was investigated in silico and in vitro using compounds possessing two hydroxamate functional groups such as 3-chloro-N-hydroxy-4-(7-(hydroxyamino)-7-oxoheptyl)benzamide (Compound 4) and N-hydroxy-4-(7-(hydroxyamino)-7-oxoheptyl)-3-methoxybenzamide (Compound 6). In silico docking and ...
Journal of Pharmaceutical Research International
Background: Benzimidazoles are aromatic, heterocyclic organic molecules which exhibit pharmacolog... more Background: Benzimidazoles are aromatic, heterocyclic organic molecules which exhibit pharmacological potential as anti-inflammatory, antiulcer, anti-hypertensive, anticancer agent, and anthelmintic treatments. The benzimidazoles could inhibit human hexokinase II, which is a critical factor in the glycolysis pathway in humans. Methods: Autodock analyses were performed for the initial docking between human hexokinase II and benzimidazoles. To determine the IC50 values by benzimidazole compounds, hexokinase enzyme assay was executed using continuous colorimetric detection. In addition, the insight into binding interactions was revealed primarily by Gromacs molecular dynamics simulations. Results: We tested the most common benzimidazoles such as Fenbendazole, Albendazole, and Mebendazole on the target enzyme hexokinase II. The Autodock vina showed that the binding affinity values were between -7.9 and -6.1 kcal/mol for all three benzimidazoles. The IC50 values were 0.29, 2.5, and 10 μM...