Medicinal chemistry Flashcards
Phytotherapy
Ingestion of plants for healing purposes
Homeopathy
Treating sickness with medicine that causes the symptoms in healthy patients
Regular medication
- EBM: Evidence Based Medicine
- Blinded randomized controlled
clinical trials (RCT’s) - Including Evidence Based
phytotherapeutics
Drug concentrations
- Toxic overdose
- Therapeutic window
- Therapeutic failure
What are optimimailisation methods for drugs
- SAR Structure Activity Relationships (qualitative)
- QSAR Quantitative Structure Activity Relatioships
Pharmacophore
the portion of a molecule which binds to the receptor site.
LogP
Solubility in octanol/ solubility in water
Dipole- dipole force
Dipole-dipole forces are attractions between polar molecules with permanent dipole moments, where the positive end of one molecule is attracted to the negative end of another molecule. (HCl)
Ion-ion force
Ion-ion forces are strong electrostatic attractions between oppositely charged ions, forming ionic bonds and playing a significant role in the properties of ionic compounds. (NaCl)
Ion-dipole force
Ion-dipole forces are bond-like interactions between an ion and a polar molecule, with the ion attracting the charged end of the molecule and repelling the opposite charged end. (NaCl in water)
Van der Waals force
Van der Waals forces are weak intermolecular attractions that arise from temporary fluctuations in electron distribution, inducing attractive forces between molecules, regardless of their polarity or size.
Hydrogen bonds
Occurs between molecules with O-H, N-H, F-H
Types of intermolcular forces
- Dipole- dipole force
- Ion-ion force
- Ion-dipole force
- Van der Waals
- Hydrogen bonds
ADME
- Absorbtion
- Distribution
- Metabolism
- Excretion
Pharmacokinetics
study of how a pharmaceutical drug effects the body
Pharmacodynamics
study of how the body effects a pharmaceutical drug
Stereochemistry
The study of stereochemistry focuses on the relationships between stereoisomers, which by definition have the same molecular formula and sequence of bonded atoms (constitution), but differ in the geometric positioning of the atoms in space.
Lipinski’s rule of 5
- molecular mass less than 500 g/mol
- logP less than 5
- less than ten hydrogen bond
acceptors (-O-, -N- etc) - less than five hydrogen bond
donors (NH, OH etc)
Trans cellular diffusion
Movement of drug through the cells
Para cellular diffusion
Movement of drug around the cells
How does dopamine get into through the BBB?
L-DOPA (precurser of Dopamine) is able to pass the BBB. After passing, L-DOPA is converted to Dopamine using DOPA-decarboxylase.
Inhibiter of DOPA-decarboxylase (that cant pass BBB) is neccessary to prevent L-DOPA from being converted to Dopamine before passing the BBB.
First pass effect
total loss of drug after intestine and liver passage before it enters the blood stream
Bioavailibility
(F ) = Drug quantity in blood stream/Drug quantity administered
Therapeutic window
concentration of drug in blood stream for optimal activity
Prodrug
A prodrug is a pharmacological inactive molecule which, after
intake, undergoes chemical and/or enzymatic transformations in the body into the active pharmaceutical
Reasons for developping prodrugs
1) Improvement of bioavailability by diminishing first-pass effect
(increase of absorption and decrease of metabolism)
2) Improvement of distribution (membrane passage)
3) Prolongation of activity: slow release, less elimination
4) Reduction of toxicity and side effects
5) Transformation into active pharmaceutical at site of activity
6) Decrease pain of perenteral administration (injection, infusion)
7) Improvement of taste (therapy compliance)
Types of prodrugs
- Carrier prodrug
- Precursor prodrug
- Antibody-directed enzyme prodrug therapy (ADEPT)
- Irradiation activated prodrugs
Reasons to develop prodrug
- Stability
- Absorption
