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Table 2 Summary of anti-malarial activity and cytotoxicity

From: Discovery of potent, novel, non-toxic anti-malarial compounds via quantum modelling, virtual screening and in vitro experimental validation

Compound

Average

Anti-malarial Activity**(ng/ml)

IC50

(μM)

Average Cytotoxicity**

(ng/ml)

Therapeutic Index

Average

Tanimoto Coefficient

GR-M001

> 10'000*

> 20.0

ND

NA

0.170

GR-M002

5381

12.54

ND

NA

0.162

GR-M003

> 10'000

> 20.0

ND

NA

0.148

GR-M004

4778

10.28

ND

NA

0.175

GR-M005

9736

18.91

ND

NA

0.147

GR-M006

1634

3.520

ND

NA

0.175

GR-M007

446

0.999

10420

23

0.186

GR-M008

382

1.027

> 90'000

> 236

0.124

GR-M009

13

0.027

> 90'000

> 6923

0.159

GR-M010

172

0.332

4860

28

0.183

GR-M011

86

0.185

3250

38

0.159

GR-M012

168*

0.328

89770

533

0.145

Anti-malarial control (chloroquine)

4.2

0.013

NA

~2

ND

Cytotoxicity control (Podophyllotoxin)

NA

NA

9.5

NA

NA

  1. *Not fully soluble in DMSO
  2. **Data from two independent assays
  3. ND: not determined
  4. NA: not applicable