Investigation of Phytoestrogens Found in Sesame Seeds via Computational and Translational Approaches
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Polycystic Ovarian Syndrome (PCOS) is a common endocrine disorder that primarily impacts reproductive-aged women. Phytoestrogens, also known as plant oestrogens, are naturally occurring compounds with a chemical structure similar to that of human oestrogen. In this study, rational and translational approaches were used to check the efficacy of phytoestrogens found in sesame seeds. The objectives included the prediction and comparison of proteins responsible for PCOS, that is, MADH4 and phytoestrogens (ascorbic acid and thiamine) present in sesame seeds. Moreover, their interaction and inhibition of the target protein through molecular docking as a rational layout were recorded. The effects of these phytochemicals were further confirmed by using PCOS induced Sprague dawley rats with standard drug Clomiphene citrate. In the translational study, PCOS was induced in an animal model and ovulation and estrous cycles were observed. Afterwards, the effects of the crude extract of sesame seed were further confirmed by measuring the levels of progesterone, testosterone, and estrogen serum levels in control, positive control, and all the sesame seed and standard drug treated groups. Two lead compounds namely ascorbic acid and thiamine obtained from sesame seeds showed the best results as compared to the standard drug Clomiphene citrate which imparts immunotoxicity against MADH4 protein responsible for the onset of PCOS. Furthermore, different stages of ovulation namely proestrus, metestrus, estrus, and diestrus were observed with vaginal smears obtained in the disease induction time period. The results obtained from the hormonal profile of all the groups indicated that the progesterone, estrogen, and testosterone levels were statistically significant with p-values less than 0.05. The findings indicated that sesame seeds possess the capability to suppress the expression of MADH4, while also maintaining the regulated hormone levels.
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