PH
Pharmacophore Modeling In Drug Design: Theory & Practice
Published 8/2026
Created by Omar Al-Attraqchi
MP4 | Video: h264, 1920x1080 | Audio: AAC, 44.1 KHz, 2 Ch
Level: All Levels | Genre: eLearning | Language: English | Duration: 22 Lectures ( 3h 41m ) | Size: 1.3 GB
Learn pharmacophore modeling in drug design and gain practical skills for performing pharmacophore studies.
What you'll learn
Understand the main concepts of pharmacophore modeling and the applications in drug design. Learn the theoretical basis of pharmacophore model development and validation process. Build and validate pharmacophore models using freely accessible software. Perform virtual screening using pharmacophore models, including result filtering & analysis. Apply structure-based pharmacophore modeling approaches to extract models from a protein-ligand complex. Enhance overall CADD skills, including 3D structures handling, workflow planning and execution.Requirements
Basic understanding in any of the following fields: drug design, medicinal chemistry, cheminformatics or bioinformatics.Description
In this course you will learn the Pharmacophore Modeling subject in drug design. This course covers the theoretical aspects and practical aspects of pharmacophore modeling.
In the theoretical part, you will learn via lectures the main concepts of pharmacophore modeling, the applications in drug design, and the model development and validation process. The lectures focus on important aspects of pharmacophore modeling and also build intuition about the subject in addition to improving general drug design understanding. Both ligand-based and structure-based pharmacophore modeling approaches are covered in this course.
In the practical part, you will perform practical experiments (using freely available software and web servers) that cover what you learn in the theoretical part. You will be provided all the input datasets and files required for each experiment, in addition to step-by-step demonstrations.
Theoretical Part
In section 1, you will learn the main concepts of pharmacophore modeling in drug design and the pharmacophore features commonly used in pharmacophore modeling. In section 2, you will learn the applications of pharmacophore modeling in drug design including virtual screening, structural alignment and scaffold hopping. In section 3, you will learn the process and workflow of pharmacophore model development, including the common features extraction algorithm, the pharmacophore-based alignment process and algorithm. In section 4, you will learn the model validation process and the validation parameters, specifically, how are those parameters calculated and how to interpret their values. In section 5, you will learn about the structure-based pharmacophore modeling approach, how this approach differs from the ligand-based approach, and the advantages and disadvantages of this approach.Practical Part
In the first experiment, you will perform a step-by-step pharmacophore model development and validation process. This experiment covers the whole process in detail including dataset preparation, training/test set preparation, model extraction, model validation and result analysis. In the second experiment, you will perform a virtual screening process using a developed pharmacophore model. This experiment covers the whole process of virtual screening including importing the model, selecting a database, performing the virtual screening, filtering and retrieving the results. In the third experiment, you will perform a structure-based pharmacophore model extraction process. The experiment covers importing the protein-ligand complex, identifying meaningful features and extracting them into a pharmacophore model.Who this course is for
Students or researchers interested in pharmacophore modeling, theoretically or practically.Homepage