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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