Table 1 Scoring system used to prioritize chemotypes.

From: High-throughput screening of the Plasmodium falciparum cGMP-dependent protein kinase identified a thiazole scaffold which kills erythrocytic and sexual stage parasites

PARAMETER

SCORE

6

3

1

0

IC50 WT PfPKG (μM)

≤0.1

0.1< × <0.5

≥0.5

 

IC50 HuPKGIα/WT PfPKG

 

>1000

10< × <1000

<10

HepG2 (μM)

 

100

50≤ × <100

<50

LEa

 

≥0.3

<0.3

 

LLEb

 

>5

<5

 

IFIc

 

<5

5≤ × <10

≥10

Compounds/cluster

 

≥5

2< × <4

1

  1. aLigand efficiency
  2. bLipophilic ligand efficiency
  3. cInhibition Frequency Index
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