ABSTRACT
Rattlesnakes have venoms with a complex toxin mixture comprised of polypeptides and proteins. Previous studies have shown that some of these polypeptides are of high value for the development of new medical treatments. The aim of the present study is to evaluate, in vitro, the antibacterial and hemolytic activity of Crotalus triseriatus and Crotalus ravus venoms. A direct field search was conducted to obtain Crotalus triseriatus and Crotalus ravus venom samples. These were evaluated to determine their antibacterial activity against Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa through the techniques of Minimum Inhibitory Concentration (MIC) and Minimum Bactericidal Concentration (MBC). Hemolytic activity was also determined. Antibacterial activity was determined for treatments (Crotalus triseriatus 2) CT2 and (Crotalus ravus 3) CR3, obtaining a Minimum Inhibitory Concentration of 50 µg/mL and a Minimum Bactericidal Concentration of 100 µg/mL against Pseudomonas aeruginosa. CT1 (Crotalus triseriatus 1), CT2, and CR3 presented hemolytic activity; on the other hand, Crotalus ravus 4 (CR4) did not show hemolytic activity. The results of the present study indicate for the first time that Crotalus triseriatus and Crotalus ravus venoms contain some bioactive compounds with bactericidal activity against Pseudomonas aeruginosa which could be used as alternative treatment in diseases caused by this pathogenic bacterium.
ABSTRACT
la búsqueda de nuevas estructuras básicas con potencialidades de presentar actividades biológicas constituye un tema permanente de investigación. Objetivo: modelar in silico propiedades estructurales y electrónicas en una muestra de salicilideniminas con potencialidades de uso en medicina. Métodos: se emplearon cálculos semiempíricos para optimizar las geometrías. Las propiedades electrónicas se calcularon siguiendo la teoría del funcional de la densidad. Se analizaron las densidades de cargas atómicas y los orbitales de frontera. Los cálculos se ejecutaron en computadoras personales. Resultados: se modelaron tres salicilideniminas y el complejo de una de ellas con Zn; cada salicilidenimina presentó dos conformaciones estables, interconvertibles entre sí por rotación libre sobre el enlace nitrógenocarbono de la parte aminoacídica; la distribución de los potenciales electrostáticos evidenció estabilidad de todas las estructuras; según los orbitales de frontera, deben ser reactivas electrónicamente. Conclusiones: las salicilideniminas son viables de ser estudiadas in silico por la metodología definida. Los modelos muestran que son compuestos estables y reactivos(AU)
Background: the search for new basic structures with a potential for presenting biological activities is an ongoing research topic. Objective: to model in silico structural and electronic properties in a sample of salicylidenimines with a potential use in medicine. Methods: semi-empirical calculations were used to optimize the geometries. The electronic properties were calculated according to the density functional theory. The densities of atomic charges and frontier orbitals were analyzed. The calculations were carried out in personal computers. Results: three salicylidenimines and the complex of one of them, with Zn, were modeled; each salicylidenimine presented two stable conformations, inter-convertible between them by free rotation on the nitrogen-carbon bond of the amino acid part; the distribution of electrostatic potentials showed stability of all the structures; according to the frontier orbitals, they must be electronically reactive. Conclusions: salicylidenimines are viable to be studied in silico by means of the methodology defined. The models show that they are stable and reactive compounds(AU)
