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ddd > H2L > Flashcards

H2L Flashcards

1
Q

involves testing the compound library (or a part of
it) to find out molecules that act on the desired target
(i.e. the hits)

A

HIT GENERATION

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2
Q

Enforce attrition to immediately discard
anything that has no chance of being active

A

HIT GENERATION

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3
Q

make sure that the hits or other
compounds are more competitive; eliminate
compounds that are not competitive

A

Attrition

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4
Q

Screening process here is STRICT

A

HIT GENERATION

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5
Q

rampant and
should be eliminated

A

Nuisance molecules

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6
Q

Hits must be validated, otherwise they are
merely called

A

actives

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7
Q

Actives that look like they’re working but are not

A

FALSE POSITIVES

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8
Q

Positive result but the hit is not interacting with the
target

A

FALSE POSITIVES

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9
Q

Common types of false positives:

A

Promiscuous binders
Pan-assay Interference Compounds
(PAINs)

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10
Q

actives that actually
bind the desired target, but target many other
things too

A

Promiscuous binders

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11
Q

Usually lead to unwanted toxicity or side
effects

A

Promiscuous binders

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12
Q

Entertain everything and tend to trigger
toxic effect

A

Promiscuous binders

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13
Q

actives that don’t bind to the desired
target at ALL

A

Pan-assay Interference Compounds
(PAINs)

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14
Q

Just gives positive results to any assay
thrown at it

A

Pan-assay Interference Compounds
(PAINs)

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15
Q

Interfere with different assay

A

Pan-assay Interference Compounds
(PAINs)

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16
Q

It is a __________ if an active binds to an unwanted target, or does not bind to a real target.

A

red flag

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17
Q

-need to use primary and secondary screening
methods

A

HIT VALIDATION

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18
Q

use of counterscreens (secondary screening
method) which serve as a sort of trap

A

HIT VALIDATION

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19
Q

T/F: A REAL HIT MUST NOT PASS THE
COUNTERSCREEN

A

T

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20
Q

Hits should test _________ in counterscreen

A

negative

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21
Q

If a test compound gives a positive
result for both the screen and
counterscreen, it is “_________” from
being a hit

A

disqualified

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22
Q

In Hit Validation, If hit disqualification does not give sufficient
confidence, the next resort is use of ____________

A

biophysical
techniques

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23
Q

A lead should

A

-have confirmed activity
-show evidence of desired selectivity
-have activity in cellular systems
-have stability in biologic systems
-Free from toxicity alerts

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24
Q

T/F: Even if a true hit is potent, it may be toxic or have
poor ADME (pharmacokinetic profile)

A

T

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25
Q

assures that millions of
dollars won’t be wasted developing a drug that
will fail in clinical trials or be withdrawn from
the market

A

Discharging risk ASAP

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26
Q

a ‘fail fast, fail cheap’ strategy

A

Discharging risk ASAP

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27
Q

Goal: Discharge risk as much and as early as
possible

A

LEAD GENERATION

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28
Q

options in choosing the starting point

A

A: get existing drug
B: New Drug/Indication

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29
Q

Researches can opt to use existing compounds in
the human body

A

A: get existing drug

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30
Q

Use of existing molecules leads to _____________

A

me-too drugs

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31
Q

can often offer improvements over the original
drug (‘me better’ drugs) as their selling point

A

me-too drugs

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32
Q

T/F: Me-too drugs can have challenges in drug
registration by the FDA because the activity
of the drug you are trying to register is the
same as the one in the market,

A

T

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33
Q

Me-too drugs can have challenges in drug
registration by the FDA because the activity
of the drug you are trying to register is the
same as the one in the market,

A

Serotonin

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34
Q

quaternary ammonium compound;
template used to produce Cevemaline (dry mouth
treatment)

A

Acetylcholine

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35
Q

derivative of Nebivolol
(antihypertensive medication)

A

Norepinephrine

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36
Q

Drug is already developed but different activity is
highlighted

A

OPTION B: NEW DRUG/INDICATION

37
Q

Drug repurposing/repositioning
SOSA

A

OPTION B: NEW DRUG/INDICATION

38
Q

same drug, different activity

A

Drug repurposing/repositioning

39
Q

same drug, but converted to an analogue, different
activity

A

SOSA

40
Q

modified drug molecule to further
enhance the activity of the drug

A

Analogue

41
Q

example of SOSA

A

Isoniazid

42
Q

T/F: much time and money is saved when
existing structures are used

A

T

43
Q

Often follows forward approach to discovery

A

NATURAL

44
Q

these are done to find actives, then
followed by determination of mechanism of
action and drug targets

A

Screens

45
Q

Skips the need for getting many reagents and
reacting them by organic synthesis

A

NATURAL

46
Q

are very complex
compounds, and thus, original most of the
time

A

Natural products

47
Q

Much more challenging than synthetic route in
terms of compound isolation

A

NATURAL

48
Q

Only limited number of unique compounds

A

NATURAL

49
Q

“Back to Zero”

A

NATURAL

50
Q

may be toxic

A

NATURAL

51
Q

The Philippine drug discovery and development
program

A

TUKLAS LUNAS

52
Q

Employed in both forward and reverse
approaches of discovery

A

synthetic compound libraries can be
tested immediately

53
Q

synthetic compound libraries can be
tested immediately

A

forward method

54
Q

libraries can be designed to obey predictive data that may come from previous CADD data

A

reverse method

55
Q

Easier isolation, and skips the horrors of endless extraction and chromatography

A

synthetic

56
Q

Can deliver up to thousands or millions of
compounds

A

synthetic

57
Q

Provides limited access to chemical space and
requires more reaction steps

A

synthetic

58
Q

produces mixtures of
different compounds within each reaction vessel

A

Combinatorial synthesis

59
Q

combinatorial synthesis is more random, and is more applicable for
________

A

hit-to-lead generation

60
Q

produce a single product in
each vessel

A

Parallel synthesis

61
Q

More focused, and is more applicable for lead
optimization

A

Parallel synthesis

62
Q

Parallel and combinatorial methods are used not just
for small molecule synthesis, but also

A

peptide synthesis

63
Q

Both methods generally involve the use of

A

solid
phase techniques

64
Q

-A cross-linked insoluble polymeric support
-An anchor or linker covalently linked to the
resin
-A bond linking the substrate to the linker
-A means of cleaving

A

Essential requirements for solid phase
synthesis:

65
Q

The techniques of solid phase synthesis have been
used to produce ______ quantities of compounds from
a particular reaction sequence

A

large

66
Q

Best to synthesize spider-like molecules than
tadpole-like molecules

A

SYNTHETIC

67
Q

Chances of success are greater if the “arms” are
____________ to allow more thorough exploration of
chemical space

A

evenly spread

68
Q

only explore chemical space
on a limited area, and wastes the chance of seeing
what can happen if other regions in space are filled

A

Tadpole-like molecules

69
Q

Mixtures of compounds are produced in each
vessel, allowing production of up to millions of novel
structures in a span of time that only a few
compounds are usually made with conventional
labwork

A

COMBINATORIAL SYNTHESIS

70
Q

In combinatorial synthesis, each reaction vessel is not purified, and is tested for
biological activity as a ______

A

whole

71
Q

Messy and expensive due to the
need for many reagents

A

COMBINATORIAL SYNTHESIS

72
Q

Can produce millions of structures

A

COMBINATORIAL SYNTHESIS

73
Q

Sometimes called concentric synthesis

A

PARALLEL

74
Q

Carried out in a series of wells such that each well
contains a single product

A

PARALLEL

75
Q

Reagents are added one by one without jumbling
everything

A

PARALLEL

76
Q

Lesser products made, but purer in quality

A

PARALLEL

77
Q

Often used for lead optimization rather than
generation

A

PARALLEL

78
Q

NMR, XRC and SPR are used in this option

A

A: in vitro screening

79
Q

Mistakes of HTS can be checked by _______ to ensure
that the compounds concerned are binding in the
correct binding site

A

NMR

80
Q

Molecular recognition events are simulated and input
as very large virtual compound libraries to be
screened in silico

A

OPTION B: VIRTUAL SCREENING

81
Q

Biological screening accounts for about 15% of the
total expenditures of an industry

A

OPTION B: VIRTUAL SCREENING

82
Q

if there is no information on
activity yet

A

Prospective

83
Q

if there are already known
drugs

A

Retrospective

84
Q

a classic method of testing
thousands of compounds against the target, if the
target protein is already well-known and has an
existing X-ray structure

A

Molecular docking

85
Q

with its intense computations,
cannot be routinely done to thousands of
compounds, and has to wait when leads are
narrowed down during optimization

A

Molecular dynamics,

86
Q

Pharmacophore models are useful especially when
full elucidation of the drug target structure lags
behind the results of screening experiments

A

OPTION B: VIRTUAL SCREENING (LBDD)

87
Q

Once the pharmacophore model is constructed,
___________ can be done

A

virtual screening

88
Q

no or little information is provided about the
mechanism of action, BUT it does give direct results

A

HTS

89
Q

not as convincing as HTS, but provides useful
information about the mechanism of action

A

VS

ddd (3 decks)

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