Computer Aided Drug Design from scratch (Practical Course)
What you'll learn
- How to perform molecular docking easily from A to Z
- Generation of a pharmacophore model
- Creation of QSAR equation
- Doing flexible alignment and creation of a database including thousands of compounds and preparation of the protein
- It is recommended to attended Computer Aided drug design course in Udemy to have a clear background about the basic principles of CADD.
The course allows the student to learn how to implement the basic principles of CADD in a practical way using MOE software. MOE is considered the most popular drug design software, collecting all the features that could be needed in designing a virtual screening protocol and in drug design in general, beside that it is beginner friendly software. In this course, all the steps of drug design would be covered from A to Z including docking procedures, generation of pharmacophore models using the different techniques, how to use QSAR equations and it's significance in our work. Creating a database from scratch till it comprises thousands to millions of compounds in an easy way. Showing how to download your protein of target and uploading it to the software and how to prepare this protein in terms of solving the structural errors of the protein, modifying the protonation charges of the residues and also energy minimize; to be readily used in the upcoming steps. Explaining the flexible alignment procedure and it's importance in generating a pharmacophore model and how to visualize the results. The goal of drug design in general is to identify compounds and drug candidates with "good" properties as quickly and economically as possible, which are safe and effective. The standard approach for the past 20 years has been to identify a single disease target molecule and then identify compounds that interact with that target and are highly specific. However, more and more people are becoming aware that this "one drug-one target" approach is ineffective, and screening a large number of compound libraries (This is called virtual screening protocol) for a specific characteristic of an isolated target is an ineffective method of discovering potential drugs. Many of the current innovations in drug discovery approaches seek to acquire and integrate more information (about disease targets, compounds, and phenotypes) in order to take a more comprehensive and holistic approach to discovering "good" drug candidates. Drug design allows researchers to visualize substances and potential targets in a 3D. The scientist can also test potential reactions without the need for a long time laboratory exercise. Researchers also can form databases of potential promising compounds and drug targets, also it allows individuals to scan quickly thousands to millions of compounds and modify searches for specific substances to choose the promising hits to be tested on a real target biologically through designing virtual screening protocols including docking and post docking processes and also QSAR and pharmacophore models.
Who this course is for:
- Pharmacist or pharmacy student- any medical student or graduate- Bioinformaticians or anyone interested in this field and chemistry graduates or students (including chemical engineering graduates or students)
This is Fady Habib, Pharmacist and MSc. student in German University in Cairo, Egypt. I am doing my masters in a computer aided drug design research project using different computer software's. I am a GUC graduate from the faculty of pharmacy and biotechnology with grade excellent with the highest honors.