Molecular docking and pharmacokinetic
studies were carried out on 20 selected phytochemicals with estrogen and
progesterone receptors and it was found that all the phytochemicals have strong
binding energy and high number of interactions, Gabridin has the highest
binding energy of -10.3kcal/mol and 12 numbers of various interactions when
docked with estrogen receptor, while Quercetin has the highest binding energy
of -9.6kcal/mol and about 14 numbers of various interactions when docked with
progesterone receptor. Pharmacokinetic study carried out showed that all the
leading compound (Gabridin and Quaercetin) are in agreement with lipinski′s
rule of 5 as they does not violate any of the rule, this shows that they will be readily
bioavailable. considering the high binding affinity of these compounds and
pharmacokinetic parameters, most of the phytochemicals used in this study can
be used in designing a highly pontent anti breast cancer drug.
Primary Language | English |
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Subjects | Chemical Engineering |
Journal Section | Articles |
Authors | |
Publication Date | September 1, 2018 |
Submission Date | July 31, 2018 |
Acceptance Date | December 9, 2018 |
Published in Issue | Year 2018 Volume: 5 Issue: 3 |