Insilico Molecular Docking and Pharmacokinetic Studies of Selected Phytochemicals With Estrogen and Progesterone Receptors as Anticancer Agent for Breast Cancer

Year 2018, Volume: 5 Issue: 3, 1337 - 1350, 01.09.2018

Sagir Ismail , Adamu Uzairu Balarabe Sagagi Muhd Sabiu Suleiman

https://doi.org/10.18596/jotcsa.449778

Cited By: 15

Abstract

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.   

Keywords

Phytochemicals, Estrogen, Progesterone, Gabridin, anticancer agent

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