Carolina Mascayano Collado
Affiliation: Universidad de Santiago de Chile
Country: Chile
Title: Rational design of 5-lipoxygenase Inhibitors by in silico and in vitro studies.
Abstract
Lipoxygenases are enzymes that catalyze the peroxidation of polyunsaturated fatty acids and contain a non-heme iron atom in their active site. They are involved in the arachidonic acid pathway, contributing to inflammation, fever, and pain production, and are implicated in the development of diseases such as cancer, asthma, and psoriasis. Inhibitors for these enzymes have gained attention in recent years. Computational methods are crucial in designing and improving therapeutic molecules. These methods cover areas such as molecular docking, theoretical and computational chemistry, and the study of physicochemical, electronic, and structural properties of molecules involved in ligand-protein interaction. They facilitate the development of drugs with high biological activity and low toxicity and provide information on the possible conformations of ligands in the active site of the receptor and their specific interactions, all supported by biological assays.
Keywords: Lipoxygenase, Inhibitors, Docking, Molecular Dynamics.
Bio
PhD in Chemistry. UNIVERSITY OF SANTIAGO DE CHILE, current workplace. Area of interest: Bio-organic, which includes organic synthesis and in vitro assays against enzymatic targets involved in the arachidonic acid pathway, complemented by in silico studies through molecular dynamics. He has supervised three Doctoral Theses, all of them in Chemistry. Undergraduate thesis in the Bachelor’s degrees in Chemistry, Biochemistry and Chemistry and Pharmacy. He has attended numerous seminars and conferences both as an attendee and as a speaker. With nearly 50 works published both nationally and internationally.