Latest Academic Works
In silico approach to understanding the mechanism of action and chemical toxicity prediction on human aromatase enzyme
Aromatase is an enzyme member of the cytochrome P450 superfamily coded by the CYP19A1 gene. Its main biological function in humans is the conversion of androgens into estrogens, transforming androstenedione into estrone and testosterone into estradiol. This enzyme is present in several tissues, and it has a key role in …
In silico approaches to understand and predict the ligand-binding interactions of the human P-glycoprotein (ABCB1) membrane transporter
The P-glycoprotein (P-gp) is responsible for the elimination of a wide variety of substances from the cell, thus it is thought to play an important role in detoxification functions. The P-gp also affects the ADMET (absorption, distribution, metabolism, excretion, and toxicity in pharmacokinetics) properties of drugs. It is involved in …