7 – Pharmacophore Modeling, Virtual Screening, and Customized Development

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About Course

1) Course Description

Master Pharmacophore Modeling and Virtual Screening with this advanced online program designed for drug discovery, computational chemistry, and bioinformatics professionals. This course teaches learners how to develop customized pharmacophore models, integrate them with large-scale virtual screening workflows, and identify potential lead compounds efficiently.

By combining theoretical foundations with practical, hands-on applications, participants will gain expertise in recognizing the key chemical features for target binding, applying structure- and ligand-based pharmacophore modeling, and leveraging computational platforms to accelerate drug discovery. This course provides the skills necessary to streamline candidate libraries, enhance hit identification, and support rational drug design.


2) Course Content / Topics

  • Principles of pharmacophore modeling in drug discovery

  • Identification of essential chemical features for target binding

  • Development of customized pharmacophore models

  • Integration of pharmacophore models with virtual screening workflows

  • Multi-ligand pharmacophore alignment and feature definition

  • Structure-based pharmacophore generation and validation

  • Data integration from molecular docking, QSAR, and other sources

  • Lead compound prioritization and candidate library optimization

  • Cloud-based computational drug discovery tools

  • Case studies, including COX-2 selective inhibitor design


3) Video Lessons

  • Pharmacophore – The Core of Drug Activity Part 1 & 2 — 58:10, 1:10:04

  • Pharmacophore Mapping — 42:51

  • Pharmacophore Identification — 53:22

  • Theoretical & Practical: Pharmacophore Modeling in MOE — 46:25

  • Practical 0: MOE Setup, Installation, and Interface Navigation — 29:19

  • Case Study: Celecoxib as a Selective COX-2 Inhibitor — 13:58

  • Practical 1: Multi-Ligand Pharmacophore Alignment — 1:18:28

  • Practical 2: Manual Pharmacophore Feature Definition — 25:49

  • Practical 3: Structure-Based Pharmacophore Generation — 41:28

  • Practical 4: Pharmacophore Validation with PubChem Actives & DUD-E Decoys — 34:12

  • Practical 5: Google Colab for Cloud-Based Drug Discovery — 19:27

  • Practical 6: Pharmacophore Validation & Virtual Screening Integration


4) Learning Outcomes

By completing this course, you will be able to:

  • Understand pharmacophore modeling principles and their significance in drug discovery

  • Develop customized pharmacophore models for specific drug targets

  • Identify and define key chemical features essential for target binding

  • Apply pharmacophore models to large-scale virtual screening of compound libraries

  • Integrate pharmacophore modeling with molecular docking, QSAR, and other data sources

  • Validate pharmacophore models and prioritize lead compounds

  • Optimize candidate libraries for experimental follow-up

  • Leverage cloud computing platforms (e.g., Google Colab) to accelerate computational drug discovery

  • Apply knowledge in practical drug discovery projects and real-world workflows


5) Why Take This Course

  • Gain cutting-edge expertise in pharmacophore modeling and virtual screening

  • Apply hands-on computational skills to real-world drug discovery scenarios

  • Enhance your career in computational chemistry, bioinformatics, and pharmaceutical research

  • Integrate multiple data sources for more accurate and efficient drug discovery

  • Learn practical strategies for hit identification and library optimization

  • Access internationally recognized training and AI-supported learning pathways


6) Ecosystem / AI Features / Certification / Community

🤖 AI-Powered Learning Ecosystem

  • AI Search Alien – interactive mentor supporting pharmacophore modeling and virtual screening

  • Step-by-step guidance for computational workflows and model validation

  • Concept clarification and practical problem-solving in real-time

🎓 Learning Path / Learning System

  • Structured modules from pharmacophore fundamentals to advanced virtual screening integration

  • AI-guided competency tracking and skill-mapping

  • Research-oriented learning pathways with integrated certification

📜 Certification & Accreditation

  • Internationally recognized certificate

  • Accredited in Egypt and the UK

  • Registered with the UK Register of Learning Providers (UKRLP)

  • Career-aligned credential for professional advancement in drug discovery and computational chemistry

🌍 Community Support

  • Interactive scientific and professional learning community

  • Peer-to-peer collaboration and mentorship

  • Hands-on project guidance and expert-led discussions

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What Will You Learn?

  • Principles and theoretical foundations of pharmacophore modeling
  • Identification of key chemical features for drug-target binding
  • Development of customized pharmacophore models for specific targets
  • Integration of pharmacophore models with virtual screening workflows
  • Advanced multi-ligand alignment and feature definition techniques
  • Structure-based pharmacophore generation and model validation
  • Application of pharmacophore modeling in large-scale compound library screening
  • Integration of pharmacophore data with molecular docking, QSAR, and other drug discovery tools
  • Prioritization of lead compounds and optimization of candidate libraries
  • Utilization of cloud-based computational platforms like Google Colab
  • Practical implementation of pharmacophore modeling in real-world drug discovery projects

Course Content

Theoretical : Pharmacophore-The-Core-of-Drug-Activity

  • Pharmacophore-The-Core-of-Drug-Activity Part 1
  • Pharmacophore-The-Core-of-Drug-Activity Part 2
  • Pharmacophore Mapping
  • Pharmacophore Identification

Practical : Pharmacophore-The-Core-of-Drug-Activity

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