Drug Discovery using BIOVIA

Teacher

Preetha Bhadra

Category

Skill Courses

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Course Name : Drug Discovery using BIOVIA

Code(Credit) : ABC01(0-2-2)

Course Objectives

  • To learn the tools of BIOVIA in detail,
  • To learn about Drug Designing,
  • To learn about detailed Protein structure, pharmacophore, basics of Docking and Discovery studio and application in Agriculture, Fisheries and others Sciences
  • To learn about the fundamental of Nano Materials and its application in Agriculture, Fisheries and others Sciences

Learning Outcomes

  • Products/ Patents/ Publications
  • To be able to design a drug molecule and identify its applications
  • To be able to analyze nanomaterials and use it as Bio-Pesticides and Biofertilizers,
  • To be able to design a drug molecule and identify its applications.
  • To be able to illustrate the structure of Protein, Pharmacophores and also able to handle Discovery Studio completely

Course Syllabus

Basics and application of Pharmachophores

Objective: To learn about detailed Protein structure, pharmacophore, basics of Docking and Discovery studio and application in Agriculture, Fisheries and others Sciences

Outcome: To be able to illustrate the structure of Protein, Pharmacophores and also able to handle Discovery Studio completely

Module I: Protein-Based Modelling, Fragment Builder,  pharmacophore features, Basics of Pharmachophores, Basis of Chemical Structure in Pharmacophore, Chemical viability analysis of Pharmacophores, conformation models for use in pharmacophore modeling
Module II: Generate pharmacophores from proteins, Generate pharmacophores from ligands, Receptor-based pharmacophore, Fit and Map ligands against a pharmacophore, Search databases using pharmacophores
Module III: Pharmacophore Comparison, Ligand Pharmacophore Mapping, Application in Biopesticides, Application in Biofertilizer

Basics and application of Nanomaterials

Objective: To learn about fundamental of Nano Materials and its application in Agriculture, Fisheries and others Sciences

Outcome: To be able to analyze nanomaterials and use it as Bio-Pesticides and Bio-Fertilizers, To be able to design a drug molecule and identify its applications

Module I: Fundamental of metals and nonmetal use in Agriculture, Fisheries and Sciences, Uses and applications of Macroelements, Uses and applications of Microelements
Module II: System Build and Sketch, Crystal Building, Crystal Morphology, Characterization of Crystal, Crystal visualization & properties, Analysis of Surfaces & Interfaces
Module III: Blending, Formulation of poorly water-soluble drugs into crystalline nano-suspension, Develop a molecular modeling approach to rapid surfactant screening, stabilizing surfactant systems for a particular drug, based on its crystal structure

Basics and application of Drug Designing

Objective: To learn about Drug Designing

Outcome: To be able to design a drug molecule and identify its applications

Module I: Drug Discovery - Issues, Target and Lead Identification, Drug And Databases, Drug Properties, Drug Solubility/permeability

Module II: ADME, Molecular Modelling, Quantitative Structure-Activity Relationship, Target-based drug design, Docking
Module III: Pharmacokinetics/pharmacodynamics, Discussion on Molecular Drug Designing, Targeted drug designing, Application

Session Plan

Session 1

Session 2

conformation models for use in pharmacophore modelling

https://www.youtube.com/watch?v=wZd-oNpzNTc

Session 3

Generate pharmacophores from proteins

https://www.youtube.com/watch?v=imEUJdTDplI

Session 4

Generate pharmacophores from ligands, Receptor-based pharmacophore

https://www.youtube.com/watch?v=JJjW9qMJeVs

Session 4

Generate pharmacophores from ligands, Receptor-based pharmacophore

https://www.youtube.com/watch?v=JJjW9qMJeVs

Session 5

Drug Discovery and Development

https://www.youtube.com/watch?v=CaWK2M7Opvw

Session 8

Target-based drug design, Docking

https://www.youtube.com/watch?v=qWAiowXvko0

Session 9

Pharmacokinetics/pharmacodynamics

https://www.youtube.com/watch?v=FFeH-954x6U

Case Studies 1

Extraction of Phytochemicals from different medicinal plants and spices
Extraction of phytochemicals by soxhlet apparatus, cold press, SCFE (by carbon dioxide) in commercial scale to supply to nutraceuticals or pharma companies. The extracted phytochemicals can be tested for biological efficacies. A good number of quality publications are expected from this project.

Case Studies 2

In-silico Validation of the Phytochemicals on Fish cell line and Plant Microbes
The bioactive molecules from phytochemicals can be used against different types of plant pathogens as well as can be used as fish feed to protect from bacterial or fungal action. This will include molecular docking, pharmacophore modelling. In-
silico models will be validated using wet lab tests. Quality publications are
expected.

Case Studies 3

Drug Designing
Known bioactive molecules from natural resources will be used for drug designing against different human physiological disorders, such as, Hypertension, Hyperglycemia, Parkinson’s disease and certain metabolic disorders. Validation of the drugs warrants clinical trial and may lead to patent and publications.

Case Studies 4

In-silico Validation of Nanoparticle dosages on Fish Cell Line and Plant Microbes
Studies on nanoparticles and its applications in plant pathology and fishery sciences are gaining immense popularity. In-silico models will can provide proper experimental design to many research works related to fisheries and plant pathology that would save time, money and man power. Validation of in-silico data in wet lab may lead to quality publications.

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    Preetha Bhadra

    Assistant Professor
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    PhD in Biophysics, currently working as an Assistant Professor in the Department of Biotechnology. My current working field is the uses of different Medicinal plants and spices and their application in Agriculture and Lifesciences, Drug designing. I love to take challenges and work hard to complete that. New domains and areas of my venture are […]