Chromatographic and Computational Screening of Lipophilicity and Pharmacokinetics of Newly Synthesized Betulin-1,4-quinone Hybrids

摘要: Lipophilicity is one of the most important parameters determining pharmacodynamic and pharmacokinetic properties, as well toxicity many compounds. The subject research was to determine lipophilicity betulin-1,4-quinone hybrids using thin layer chromatography in reverse phase system computer programs calculate its theoretical models. correlation between experimental values analyzed. Lipinski’s Veber’s rules, penetration through blood–brain barrier were also determined programs. For all analyzed values, a similarity analysis performed. dendrograms for show that there them. However, indicate no structure pharmacological properties. Hybrids exhibit high biological activity against cancer cell lines, with level NAD[P]H-quinone oxidoreductase (NQO1) protein. enzymatic assay used has shown these compounds are good NQO1 substrates, evidenced by increasing metabolic rates relative streptonigrin. tested