Drug Design and Molecular Docking by using computation Tools

Course Overview

Skills and Knowledge:
By taking this course, you will acquire skills and knowledge in the field of molecular orientation modeling, molecular docking, computer aided drug design, and the use of MOE software. You will learn how to install a molecular docking environment, retrieve ligands from a bioinformatics database, obtain protein sequences from the Protein Data Bank (PDB), and perform molecular docking. You will also gain an understanding of 2D and 3D molecules interactions and how to use them to develop drugs for various applications. Additionally, you will gain an understanding of the pharmaceutical industry and how it uses naturally occurring compounds, antivirals, antifungals, anti-nematodes, and anti-protozoal drugs.
Professional Growth:
This course contributes to professional growth by providing students with the knowledge and skills necessary to use molecular docking software to design and develop drugs. Students will learn how to install and use MOE software, retrieve ligands from bioinformatics databases, obtain protein sequences from the Protein Data Bank (PDB), and perform molecular docking studies. Additionally, students will gain an understanding of the interactions between 2D and 3D molecules, and how to use this knowledge to develop drugs for various applications, such as antivirals, antifungals, anti-nematodes, and anti-protozoal drugs. By the end of the course, students will have a comprehensive understanding of molecular docking and drug development simulation studies, which will be invaluable in their professional growth.
Further Education:
This course is suitable for preparing further education in the field of molecular orientation modeling and drug discovery. It provides a comprehensive introduction to the use of computer-aided drug design (CADD) approaches, including the analysis of ligands known to interact with a target of interest. The course covers the installation of molecular docking environment (MOE), retrieval of ligands from bioinformatics databases, obtaining protein sequences from the Protein Data Bank (PDB), and performing molecular docking studies of various naturally occurring compounds, antivirals, antifungals, anti-nematodes, and anti-protozoal drugs. Additionally, the course provides a real-world example of a drug agent called lutein, which is present in papaya, and its potential for protein resistance and drug agent capabilities. This course is therefore suitable for preparing further education in the field of molecular orientation modeling and drug discovery.