In the previous studies, the role of two molecules of 5,5-dimethyl-decahydro-5H-benzo[h]naphtho[1,2-c]chromene; (6aS,6bR,8aR,10R,12bR)- 10,14-dihydroxy-5,5-dimethyl-6,6a,6b,7,8,8a,9,10,11,12b-decahydro -5H-benzo[h] naphtho[1,2-c] chromene-8a-carbaldehyde (1) and (6aR,6bS,8aR,10R,12bR,14aR)-8a-acetyl-10-hydroxy-5,5-dimethyl-6,6a,7,8,8a,9,10,11,12b, 14a-decahydro-5H-benzo[h]naphtho[1,2-c]chromen-14(6bH)-one (2) as anti-inflammatory agent was established by in-silico studies where through induced-fit molecular docking method, the inhibitory potentials against cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) were screened. In the present research, the essential pharmacokinetic properties (as well as toxicity aspects) of the compounds were predicted using the QikProp module of Maestro 9.1 software to determine whether the proposed molecules will have enough perspective to present the intended drug action with no compromise in the bioavailability along with the probable toxicity profile. The current research revealed several imperative pharmacokinetics cum toxicity profiles of two 5,5-dimethyl-decahydro-5H-benzo[h]naphtho[1,2-c]chromene derivatives. The compounds were found to follow the Lipinski Rule of 5 and Jorgensen Rule of 3. A remarkable oral absorption of 100% was predicted for both the molecules. However, maximal transdermal transport rate and skin permeability values were observed to be quite low and the alternative route of transport was seen to be insignificant. Apparent Caco-2 predicted values were monitored to be > 500 for both the molecules which signified better human intestinal absorption. The molecules were detected to be less prone to cardiac toxicity. The serum protein binding was found to be quite considerable where major fractions of the compounds are likely to circulate freely. Thus, the present work will provide adequate data in rationally designing the novel chromene based hybrid molecules having better pharmacokinetics and toxicity profiles.
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