Section: Topic 2: Structure Based Drug Design | Computational Drug Discovery Techniques (Trial) | IMU ODL

  • Topic 2: Structure Based Drug Design

    • Topic Overview

      Welcome students to Topic 2. The modes of learning for this topic is i-lecture and computer aided learning (CAL). In the CAL session, you will learn how to use structure based drug design tools in the Schrodinger Suite. You will then prepare a CAL report to suggest compounds with improved efficacy and safety against a given target. The CAL report will contribute to 10% of the module mark.

      In this topic, you will learn the following lessons:

      a. Theory and principles involved in structure based drug design

      b. Preparation of receptor for molecular docking studies

      c. Identification of binding sites

      d. Rigid and induced fit docking

      e. Interpretation and analysis of docking results

      Please use firebox browser to view the i-lecture

    • 2.1       Theory and principles involved in structure based drug design

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      Topic 2: i-Lecture: Structure based drug design File
      Students must
      View

    • 2.2       Preparation of receptor for molecular docking studies

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      Topic 2: Video: Schrodinger - Glide - Protein-Ligand Docking Page

    • 2.3       Identification of binding sites

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      Topic 2: Video: Schrodinger - Glide - Protein-Ligand Docking Page

    • 2.4       Rigid and induced fit docking

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      Topic 2: Video: Schrodinger - Glide - Protein-Ligand Docking Page

    • 2.5       Interpretation and analysis of docking results

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      Topic 2: Video: Schrodinger - Glide - Protein-Ligand Docking Page
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      Topic 2: Video: Schrodinger - Glide - Protein-Ligand Docking Page
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      Topic 2: Video: Schrodinger - Glide - Protein-Ligand Docking Page

    • 2.6       Industry case studies

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      Topic 2: Video: Schrodinger - Glide - Protein-Ligand Docking Page

    • 2.7       CAL Quiz (Ungraded)

    • 2.8       CAL Report (Graded)

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      Topic 2: Reading: Guidelines/Template for preparing CAL Workshop Report File
      Students must
      Mark as done

      Guidelines for CAL Workshop Report Submission

       

      Please read the following guidelines carefully before you start preparing your CAL workshop report:

      • This document is a template, the objective of this template is to enable you to submit your CAL project report in a standardised format.
      • You should answer all parts of questions,all questions are compulsory.
      • You will need to remove the red color text before you start typing your text.
      • To type your text use the styles and fonts sizes as consistent in this template.
      • To create more space for your text, you will need to use suitable functions in MS Word settings.
      • CAL Project Report is divided into two sections, SECTION 1 is software applications, this carries 20 marks and SECTION 2 is problem solving and critical thing industrial case studies, this carries 30 marks. The total marks is 50 marks and it contributes 10% of your in-course assessment (ICA).
      • Save this file with your name and ID before you submit online.
      • Ensure that all the questions are answered and saved in the template before you upload your CAL Workshop Report file online. 
    • assign icon
      Topic 2: Submission: CAL Workshop Report - Online Submission Link Assignment
      Students must
      Make a submission
    • Students must
      Mark as done

      Additional References

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      Topic 2: URL: Additional References-Web Servers Page
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