Medicinal Chemistry
Terms
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- Goal of QSAR
- we want to design a drug that has the lowest concentration in the blood for the desired biological effect.
- Physicochemical Features Quantified in QSAR
- Hydrophobicity, electronics, sterics all relate to Biological Activity
- Tips for QSAR
- calculate in advance what the biological activity of novel analogue might be target efforts on analogues which should have improved.
- QSAR ATTEMPS...
- qsar attempts to identify and quantify the physiochemical properties of a drug and to see whether any of these properties has an effect on the drugs biological activity.
- QSAR STANDS FOR:
- Quantitative Structure Activity Relationships
- Isoteric replace ment of a Methyl group with a...
- Amino Group
- Isosteric
- H2N
- dont get what you want
- Lysergic Acid- LSD
- Stratigies of Drug Development
- -simplification of the structure -variation of the substituents -chain extensions/contractions -ring expansion -ring variations
- Development of a NOVEL DRUG from a natural source.
- -Determination sturcture -synthesis of analogues -structure activity relationships -Enzyme target site and mechanism -design and synthesis of novel drug structures
- Standard pattern of Drug development
- 1st discover bio activity in crude extract isolation of the molecule stucture determination
- Standard pattern of Drug Development 1st step
- -first find active agent as starting point i.e. natural products(plants, marine organisms for example)
- 3 objectives for medicinal chemist to develop drugs
- 1. to increase activity 2. reduce side effects 3. provide easy and efficient administration to the patient
- pharmacokinectics
- the fate of a drug in the body
- pharmocodynamics
- the efficacy and toxicity of a drug.
- more hydrophillic the drug
- the lower the partition coefficient
- more hydrophobic drug
- higher partition coefficient
- hydrophillic compounds prefer to dissolve in
- an aqueous solution
- hydrophobic compounds dissolve in
- octanol
- partition coefficient
- (concetration of drug in Octanol)/( concentration of drug in Aqueous Solution)
- Hydrophobic drug charcteristics
- Enzyme active site has a hydrophobic region Too: hydrophobic will be poorly soluble in blood trapped in fat deposits, more susceptible to metabolic break down in liver