The College of Education for Pure Sciences Organizes a Training Course on the Practical Applications of Molecular Docking in the Discovery of Chemical Compounds
The College of Education for Pure Sciences Organizes a Training Course on the Practical Applications of Molecular Docking in the Discovery of Chemical Compounds
The College of Education for Pure Sciences Organizes a Training Course on the Practical Applications of Molecular Docking in the Discovery of Chemical Compounds.
The Department of Biology, College of Education for Pure Sciences, organized a training course entitled “Practical Applications of Molecular Docking in the Discovery of Chemical Compounds Using Molecular Evolution (MOE).”
This course aims to introduce students to molecular docking, one of the most widely used methods in structure-based drug design due to its ability to predict the binding conformation of small molecular ligands relative to the appropriate target binding site. Characterizing binding behavior plays an important role in rational drug design and in elucidating the fundamental biochemical processes involved. Proteins, peptides, nucleic acids, sugars, and lipids play a key role in signal transduction.
The training course included several topics on docking basics and theoretical concepts, the ability to properly prepare proteins and ligands, running docking simulations using the Moe 2014 program, analyzing the results, and extracting the best binding poses.
The researchers recommended paying attention to these topics because docking has practical importance in predicting the binding mechanism between the drug and the target protein, identifying the most suitable binding site within the protein, screening compounds and selecting the most effective ones, accelerating drug design, reducing cost and time, understanding drug resistance, and developing better alternatives.
