Quiz 1 Flash Cards
What are the components that make aromaticity?
cyclice ring systems
shared electrons conjugated by resonance
compounds are unusually stable
these compounds are flat and planar
Which elements are electronegative?
F,O,Cl,N,Br,I,S,C,H,P,B,Si
What are Van der Waals forces?
weak short-range electrostatic attractive forces between uncharged molecules
What is a molecular target?
fragment of a cell component interacting with a drug molecule in initial stage of a series of events leading to a measured effect.
What is an example of an extracellular molecular targets?
Membrane bound receptors
What is an example of a intracellular molecular target?
Enyzmez, proteins, DNA sites
What is a covalent interaction?
interaction of two components via a covalent bond
What is ionic electrostatic interaction?
interaction of positive and negatively charged molecules
What is Ion-Dipole interaction?
interaction of a charge molecule with another molecule that has a dipole of the opposite charge
What is Dipole-Dipole interactions?
When two molecules with a net dipole of opposite charge interaction
What hydrophilic interactions?
when two molecules interaction that have an electronegative molecule and a hydrogen
What is a charge-transfer interaction?
pi-bond stacking allows electrons from 1 pi cloud to jup to another pi cloud
What are hydrophobic interactions?
van der waals forces of two hydrophobic molecules
What is a bioisoster?
compound resulting from the exchange of an atom or group of atoms with another atom or group of atoms
What is the objective of a bioisoster?
replacement to create a new compound with improved properties, favorable ADMET without changing molecular target.
What is the role of stereochemistry in Drug design?
changing the stereocenter of a molecule can increase/derease interaction points, change therapeutic application, activity, toxicity ect
Which drug(s) have inactive stereoisomers?
Triprolidine and Ibuprofen
Which drug losses it’s activity if switched to the other enanitomer?
Ritalin
Which Drug is used for anti-malaria and it’s enantiomer is a anti-arrhymic?
Quinine
Which drug has an enantiomer that opposes the drugs effect?
Albuterol
Which drug is a NMDA receptor antagonist and the enantiomer has similar effect to THC?
Dexanabinol
What is CADD?
computer aided drug design. a 3D visualation of interactions between compounds and proteins used to undertand the mode of drug binding and improve drug binding
What are the main properties used in CADD?
Sterics- length, width, molar refractivity, volume
Electronic- ionization constants, atomic charges, fild resonance
Lipophilic- hydrophilich constant, partition coefficients, calculated log P values
H-Bonding- number of hydrogen bonds, # of h-bond donors
What is structure-based drug design method?
improvement of a known inhibitor binding affinity to a know target binding siteby changing or adding fragments
What is Ligand-Based drug design method?
Modify a compound structure to improve biological activity without knowledge of the target
What is homology modeling method?
Construct atomic-resolution model of a target protein from an amino acid sequence or experimental 3D structure
What is de novo deisgn method?
known protein binding side used to design a drug using fragments of molecules and functional groups
What is high throughput screening?
technique for empirically discovering chemical modifiers of biological action.
What are the two approaches to drug discovery?
Phenotypic looks at the effects of phenotypes and induced cells, tissues or organisms
Target based- measure effects of compounds on a purified target protein in an in vitro assay
What is a biochemical assay?
Kinases and enzymes via simple ligand-receptor intractions. readily adaptable and little functional data
What is a cell-based assay?
functional data collected via ino-channels and other membrane receptors. Harder to adapt to mini HST format
What is homogeneous assay?
all components of assay in solution phase at time of detection. whas steps not needed
What is heterogeneous assay?
one or more assay components in solid phase at time of detection. wash steps involved
What is a “hit”
activity discovered by primary assay high-throughput screening
What is a “lead”
activity confirmed in a secondary assay that is typically a more functional end point
what is a “lead candidate”
show activity in animals promising pharacology
what is a “drug”
are lead candidates that have effective activity in humans
What is scintillation Proximit Assay
Scintillation bead with kinase attachment is brought in close contact to another kinase acceptor. the interaction releases a b particle that is detected by light
WHat is AlphaScreen?
two bead get close together and energy in the form of light is transfered from one bead to another.
What is signal to noise?
measure of the signal strength
What is signal to background?
usually calculated using control compounds by 2 fold
What is Z’ factor?
representation of the SW using a score that represents a acceptable assay
What is an organoid?
high throughput 3d cultur formations that feature self assembly, generated from primary tissues, induced pluripotent stem cells and cell lines, replicates normal organ function
