10 Questions
What is CADD?
Computer-Aided Drug Design
What is Molecular Docking?
Molecular Docking
Give an example of a source of drugs from animals.
Animal Insulin (pig, cow), growth hormone (man) (Creutzfeldt-Jakob)
Name a plant-based source of drugs mentioned in the text.
Digitalis (digitalis purpurea - foxglove), morphine (papaver somniferum)
What are the three categories of sources of drugs mentioned in the text?
Animal, Plant, Inorganic
What are some examples of unmet medical needs mentioned in the text?
Corona Virus, Swine flu, AIDS, Alzheimer’s, obesity
What is an example of a drug developed through serendipity?
Penicillin
What is the issue with the random screening approach for drug discovery?
It is time consuming and a trial & error approach.
How was phenolphthalein discovered to have a unique mechanism?
After a heroic self-experiment, a pharmacologist experienced its drastic diarrheal activity.
What led to the discovery of drugs used in leukemia to inhibit excessive proliferation of white blood cells?
The destruction of white blood cells in persons who survived and inhaled mustard gas during the second world war.
Study Notes
- Drug discovery and development process involves finding new drugs for various medical needs, including unmet needs, new diseases, low efficacy of existing drugs, and side effects.
- Sources of drugs include animals (insulin, growth hormone), plants (digitalis, morphine), inorganic substances (arsenic, mercury), synthetic chemicals (propranolol), and biotechnology (human insulin).
- Serendipity or luck plays a role in drug discovery, with examples including penicillin from mold contamination and the discovery of acetylsalicylic acid's unique mechanism.
- Drug discovery by screening involves testing a large number of synthetic or natural compounds for desired effects, but it is time-consuming and does not require knowledge of drug or target structures.
- Rational drug design is a more targeted approach to drug discovery, using computer-aided design and molecular docking techniques to identify potential drug candidates based on their interactions with specific targets.
- Molecular docking is a computational method used in rational drug design to predict how a small molecule interacts with a target protein, helping to identify potential drug candidates.
- Applications of molecular docking in drug discovery include the discovery of inhibitors for the human immunodeficiency virus (HIV) reverse transcriptase, the discovery of inhibitors for the severe acute respiratory syndrome coronavirus (SARS-CoV) main protease, and the development of new drugs for cancer and neurological disorders.
- Success stories in molecular docking include the discovery of rosuvastatin, a drug used to lower cholesterol levels, and the discovery of quinapril, an angiotensin-converting enzyme (ACE) inhibitor used to treat hypertension and heart failure.
Explore the principles of computer-aided drug design (CADD) and molecular docking in this online lecture. Discover the applications and success stories of molecular docking in drug designing.
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