Synthesis, structural investigation, antibacterial and DFT studies of complexes derived from a cholesteryl dithiophosphonate ligand with some thio-metallolane and thio-metallocane heterocycles of As(III) and Sb(III)

Sosa-García, David; López-Cardoso, Marcela; Tlahuext, Hugo; Vargas-Pineda, Gabriela; Román-Bravo, Perla; Villamil‐Ramos, Raúl; Acevedo-Quiroz, Macdiel; Razo‐Hernández, Rodrigo Said; Gómez‐Sandoval, Zeferino; Álvarez-Fitz, Patricia; Cea‐Olivares, Raymundo

doi:10.1016/j.ica.2019.05.042

Cited by 4 publications

(3 citation statements)

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“…These biological outcomes are in accord with the docking imitation that predicted a better tendency to bind with the Escherichia coli protein ( 3t88 ) in comparison to Staphylococcus aureus protein ( 1BQB ). Also, the variation of the biological potency of the FB dye could be correlated to its relatively low dipole moment value (7.940 Debye) relative to other analogous reported compounds [29,30] . Consequently, FB dye has a high degree of lipophilicity and feasible capability to penetrate the phospholipid bilayer of the Gram‐negative Bacteria (Klebsiella pneumonia and Escherichia coli) outer membrane [30] …”

Section: Resultsmentioning

confidence: 96%

“…[29,30] Consequently, FB dye has a high degree of lipophilicity and feasible capability to penetrate the phospholipid bilayer of the Gram-negative Bacteria (Klebsiella pneumonia and Escherichia coli) outer membrane. [30]…”

Section: Chemistryselectmentioning

confidence: 99%

“…Also, the variation of the biological potency of the FB dye could be correlated to its relatively low dipole moment value (7.940 Debye) relative to other analogous reported compounds. [29,30] Consequently, FB dye has a high degree of lipophilicity and feasible capability to penetrate the phospholipid bilayer of the Gram-negative Bacteria (Klebsiella pneumonia and Escherichia coli) outer membrane. [30]…”

Section: Chemistryselectmentioning

confidence: 99%

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Spectral, Thermal Behavior, Molecular Modeling, and Antimicrobial Studies of Fuchsin Basic Hydrochloride

2022

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The current study reported important characteristic features of the 4‐[(4‐aminophenyl)‐(4‐imino‐3‐methylcyclohexa‐2,5‐dien‐1‐ylidene)methyl]aniline hydrochloride known as fuchsin basic dye (FB). The thermal decomposition behavior of the dye was scrutinized through thermogravimetric analysis (TG), differential thermal analysis (DTA), and differential scanning calorimetry (DSC). Besides, the acid dissociation constants of FB were evaluated by analyzing its electronic spectra at different pH values. In addition, a docking study was also carried out to investigate the binding affinity between the FB dye and two selected proteins (3t88 and 1bqb) of Escherichia coli and Staphylococcus aureus, respectively. The docked complex of the dye with the target proteins exhibits moderate scoring energy values (−5.2025 and −5.5762 kcal/mol where the receptors are bonded to the dye through H‐bonds of lengths that are less than 3.5 Å. The dye was also tested for its antimicrobial activity against two Gram‐positive and two Gram‐negative bacterial species. The results revealed moderate to good activity against Klebsiella pneumonia, Escherichia coli, and Streptococcus pyogenes species compared to amoxicillin 0.1 % as a reference control.

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Section: Resultsmentioning

confidence: 96%