fun facts 2-4

Question 1

drug target characteristics

Answer 1

• good ip status
• promising toxicity profile
• confirmed role
• easily assayable with HTS
• 3D structure available 4 druggability
• uneven target expression// distribution

Question 2

modern drug discovery

Answer 2

target identification (f+r)

target characterisation ( c the mech)

target validation ( mod -> TE)

Question 3

research and discovery

Answer 3

• target identification
• hit generation
• lead generation

Question 4

unmet medical need occurance

Answer 4

• no approved molecules
• late stages of clinical trials
• correct dose effects existing molecules

Question 5

TARGET IDENTIFICATION

Answer 5

IN SILICO

IN LAB

Question 6

TI SILICO

Answer 6

SILICO SCREENING
MACHINE BASED LEARNING

Question 7

TI LABORATORY

Answer 7

FUNCTIONAL SCREENING (G KO, KD, OE)

BIOLOGICAL ASSAYS
(EXPRESSION PROFILLING)

Question 8

TARGET IDENTIFICATION

Answer 8

SIL LAB

SILSCREEN, MBL

BA FS

Question 9

target validation

Answer 9

chemical
genetic

Question 10

tv chemical

Answer 10

use of drugs to show inhibition -> inhibition

Question 11

tv genetic

Answer 11

g kd
g ko

Question 12

tv validation

Answer 12

in vivo

in vitro

Question 13

tv val vivo

Answer 13

disease animal model
animal alternatives

Question 14

tv val vitro

Answer 14

• parameters studied
• function of target when bound to different ligands
• cell + tissu exp

Question 15

Hit Confirmation

Answer 15

• Confirmatory Testing
• Secondary Screening
• Dr Curves
• Synthetic Tractability
• Freedom To Operate

Question 16

efficacy

Answer 16

ability for drug - receptor complex to produce max functional response.

Question 17

Hit Identification Definition

Answer 17

identifying + delivering compound with confirmed activity to a biological target

Question 18

Hit Identification

Answer 18

• Functional Assays
• Phenotypic Assays
• Ai

Question 19

Hi
Fa

Answer 19

• HTS
• biochem assays
• in vitro assays

Question 20

Hi
Pa

Answer 20

• HCI

Question 21

Hi
Ai

Answer 21

in silico virtual drug discovery

Question 22

Hi
Expansion

Answer 22

• selectivity
• affinity
• efficacy in assays
• drug likeness
• high cc50
• synthetic tractibility
• patentability

Question 23

lead compound characteristics

Answer 23

• confirmed potency
• confirmed selectivity
• desired adme
• desired safety profie
• emerging sar

Question 24

optimise a lc

Answer 24

synthesise a structural varient on it in order to optimise its properties

optimise adme

Question 25

sar techniques

Answer 25

- FG // alter + FG size and shape (position, chain length, ring systems)

Question 26

cig lit azone to

Answer 26

rosig lit azone

Question 27

qsar

Answer 27

quantitative. math relationship between structure and physiochem properties // patameters

Question 28

parameter

Answer 28

numbers that rep a molecular property

Question 29

parameter examples

Answer 29

e- distribution shape lipophilicity

Question 30

lipo parameter

Answer 30

log p partition coefficient log [ octantol ] // [ aq buffer]

Question 31

size parameter

Answer 31

- molecular weight - molecular volume - surface area

Question 32

electronic parameter

Answer 32

HAMMETT CONSTANTS measure e- wd // e- donation

Question 33

structural parameter

Answer 33

h bond donors h bond acceptors rotary bonds

Question 34

lipinskis rule of 5

Answer 34

log p < 5 mol weight < 500 5 h donors 10 h acceptors rule for oral drugs predicts if compound will be drug like

Question 35

modelling

Answer 35

3D qsar - design new molecules based on receptor pharmacophore (u dont know receptor structure) model receptors - generate 3d receptor models based off 3d pharmacophore + place aa side chains appropriately.

Question 36

virtual screening

Answer 36

pharmacophore matching: screen data bases for those with desired pharmacophores docking calculations: receptor is known. computer positions ligands in receptor sites and rates them based on binding strength.

Question 37

what is a pharmacophore

Answer 37

abstract description of molecular features