Drug Design Chapter 2: Drug Discovery, Design, and Development (Part 1)

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Principles of Drug Design Chemistry 5332

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Drug Design Chapter 2: Drug Discovery, Design, and Development (Part 1)
1 1. Drug Discovery
1.1 Before 19th century: drugs were mainly herbs and potions
1.1.1 Mid 19th century: scientists attempted to isolate and purify active components
1.2 A. Statistics
1.2.1 Average time to market: 12-15 years
1.2.2 Average cost: $600-800 billion
1.2.3 Cost to get on market today: $1.2 billion
1.3 B. Choosing a Disease
1.3.1 How are target disases chosen? Logical... Practical...
1.4 C. Clinical Trials
1.4.1 Before clinical trials...
1.4.1.1 1) in vitro and in vivo testing on cell cultures or transgenic mice
1.4.1.1.1 2) test on lab animals for several months
1.4.2 Four Phases of Clinical Trials
1.4.2.1 Phase 1: healthy volunteers
1.4.2.1.1 Phase 2: small group of volunteers
1.4.2.1.1.1 Phase 3: larger group of patients
1.4.2.1.1.1.1 Phase 4: never-ending
1.4.2.1.1.1.2 Drug can be licensed, marketed, and prescribed
2 2. Finding a Lead Compound
2.1 Prototype Compound
2.1.1 Drug Candidate
2.1.1.1 Clinical Drug
2.2 A) No Lead Compound (Serendipity)
2.2.1 1) Penicillins
2.2.1.1 bacteria culture accidentally contaminated with a mold
2.2.2 2) Mustard Gas
2.2.2.1 led to first chemotherapy drug, mustine
2.2.3 3) Cisplatin
2.2.3.1 inhibited bacterial cell division when electric field was applied
2.3 B) Lead Discovery
2.3.1 bioassay: test system
2.3.2 in vitro tests: cells, tissues, enzymes, receptors
2.3.3 in vivo tests: animals
2.4 C) Random Screening
2.4.1 all compounds tested in bioassay, regardless of structure
2.4.1.1 synthetic chemicals
2.4.1.2 natural products
2.4.1.3 "War on Cancer" allowed new compounds to be screened for free
2.5 D) Nonrandom Screening
2.5.1 targeted screening
2.5.2 budget concerns
2.5.3 looking for weak activity or similar structures
2.6 E) Metabolites
2.6.1 in vivo drug degradation products
2.6.1.1 often in active compound
2.7 F) Clinical Observations
2.7.1 observe side effects of drugs in clinical trials
2.7.1.1 Example: Dramamine
2.8 G) Rational Approaches
2.8.1 "computer-aided design"
2.8.2 1) Identify cause of the disease
2.8.2.1 2) Design molecules which correct an imbalance or stop cell growth
3 3. Lead Modifications
3.1 (continued in part 2 of Chapter 2)
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