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Table 8 Toxicity risk of selected compounds in comparison with standard drugs

From: Virtual screening, pharmacokinetics, and molecular dynamics simulations studies to identify potent approved drugs for Chlamydia trachomatis treatment

Cpd no

Mutagenic

Tumorigenic

Rep-eff

Irritant

TSA

RPSA

16

High

None

None

Low

239.27

0.374

23

None

None

None

None

217.69

0.420

32

None

High

High

High

247.85

0.321

36

None

None

None

None

317.18

0.155

37

None

None

None

None

335.15

0.267

39

None

None

None

None

267.32

0.259

44

None

None

None

None

284.65

0.386

50

None

None

None

None

268.1

0.269

51

None

None

None

None

285.29

0.384

Std1

None

None

None

None

238.58

0.419

Std2

None

None

None

None

296.37

0.461

Std3

None

None

None

None

365.48

0.610

Std4

None

None

None

None

311.79

0.438

  1. Rep-Eff, reproductive effective; TSA, total surface area; RPSA, relative polar surface area; Std1, ampicillin; Std2, oxytetracycline; Std3, chlortetracycline; Std4, ceftriaxone