THE EFFECT OF THE MOLECULAR PROPERTIES OF CALCIUM CHANNEL BLOCKERS ON THEIR ELIMINATION ROUTE
2015
Calcium channel blockers (CCBs) are among the most widely used drugs in
cardiovascular medicine. In this study, nine CCBs (amlodipine, felodipine,
isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and
diltiazem) were investigated to assess the relationship between their
molecular properties and elimination data obtained from literature. The
descriptors of the molecular properties of CCBs were calculated using three
software packages. The relationship between computed molecular properties and
elimination data collected from relevant literature, initially investigated
with simple linear regression analysis, showed poor correlation (R2 <0.25).
Application of molecular weight or volume data as additional independent
variable, multiple linear regression (MLR) revealed better correlations (R2 ~
0.38) between CCB renal and fecal elimination data and their lipophilicity.
Excluding nimodipine from the calculations resulted in more acceptable
correlations. The best correlations were established after computed
lipophilicity descriptor and molecular weight were applied (R2 = 0.66 with
acceptable probability value). [Projekat Ministarstva nauke Republike Srbije,
br. TR34031]
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