In the present, study we analyzed the electronic properties of Steviol, the Stevia rebaudiana metabolite, and its interaction with antiapoptotic protein BCL-2. The ionization potential and electrophilicity index values ...

La goma de algarrobo es un exudado proveniente de las ramas y troncos de los árboles del género Prosopis, tiene una semejanza a la goma arábiga y posee potenciales aplicaciones en el área farmacéutica, de alimentos, industria ...

In the present study, we performed a computational study to gain insights on the binding mode and high affinity of pregabalin, its inactive isomer (R-pregabalin) and gabapentin when modulating voltage-gated calcium channels. ...

Purpose: The importance of studying polyphenolic compounds as natural antioxidants has encouraged the search for new methods of analysis that are quick and simple. The synthesis of silver nanoparticles (AgNPs) using plant ...

Se presenta un estudio espectroscópico computacional del ibuprofeno y sus precursores químicos isobutilbenceno y 4-isobutilacetofenona. En la investigación se utilizó el programa de modelamiento electrónico estructural ...

Silver nanoparticles are recognized for numerous physical, biological and pharmaceutical applications. In this study, silver nanoparticles were successfully synthesized by green chemistry alternative reduction method, using ...

En este estudio, se presenta la modelación computacional de la interacción del paracetamol y su metabolito activo, el 4-aminofenol, con las enzimas Ciclooxigenasa 1 y Ciclooxigenasa 2. El objetivo fue utilizar métodos ...

In this research, we present a preliminary computational study of four Dermaseptin-related peptides from the skin exudate of the gliding tree frog Agalychnis spurrelli. Experimentally, the amino acid sequence of these ...

Lignin peroxidase (LiP) is an important enzyme for degrading aromatic hydrocarbons not only in nature but also in industry. In the presence of H₂O₂, this enzyme can easily decompose lignin and analogue compounds under mild ...

The green synthesis of silver nanoparticles aims to synergistically bind bactericidal properties of the element with the chemical composition of plant extracts and potentially use them in biodegradable plastic substitute ...