Insilico Molecular Docking and Pharmacokinetic Studies of Selected Phytochemicals With Estrogen and Progesterone Receptors as Anticancer Agent for Breast Cancer
Author(s) -
Sagir Yusuf Ismail,
Adamu Uzairu,
Balarabe Sarki Sagagi,
Muhd Sabiu SULEİMAN
Publication year - 2018
Publication title -
journal of the turkish chemical society section a chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.179
H-Index - 6
ISSN - 2149-0120
DOI - 10.18596/jotcsa.449778
Subject(s) - pharmacokinetics , estrogen receptor , chemistry , docking (animal) , pharmacology , estrogen , estrogen receptor alpha , lipinski's rule of five , receptor , breast cancer , stereochemistry , biochemistry , biology , cancer , medicine , endocrinology , in silico , nursing , gene
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.
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