*Computer-assisted molecular modeling, *Polycystic ovary syndrome, *Treatment effectiveness, *Plant extracts, *Rats, *Experimental design, *Animal experimentation, *Comparative studies, *Uterus, *Ovaries, *Evaluation

Background: Cynodon dactylon traditionally employed or treating hormonal problems in women. Therefore, this study aimed to assess the effect of C. dactylon hydroalcoholic extract of on letrozole-induced polycystic ovary syndrome (PCOS) in adult rats. Materials and Methods: In this experimental study, hydroalcoholic extract was prepared from the whole plant except the root. Then, 16 female Sprague-Dawley rats were divided into four groups. In the control group, the PCOS model was not induced and no treatment was performed. The PCOS-induced groups received 1 mg/kg of body-weight letrozole daily by gavage for 21 days. In the PCOS-induced groups two groups were orally treated with 250 mg/kg body weight daily metformin or 500 mg/kg body weight daily C. dactylon extract, 28 days after PCOS induction. Hormonal, histopathologic, and histomorphometric analyses were performed. Molecular docking also done to evaluate effect of C. dactylon extract on receptors involved in the pathophysiology of PCOS. Results: C. dactylon had a remarkable positive effect on estrous cycles and also led to a significant reduction in the weight of PCOS rats. Moreover, C. dactylon extract mitigates PCOS-induced hormonal imbalances including a significant decrease in testosterone and estrogen levels, as well as increased progesterone levels. Ovarian and uterine structures were improved including reducing theca layer thickness, enhancing antral follicular areas, and a significant decrease in the luminal area of the perimetrial layer, endometrial glands, and the total uterine area when compared to the PCOS group. Besides, molecular docking analysis showed that Ar-tumerone, Tumerone, Tricyclo[6.3.0.0(1,5)] undec-2-en-4-one, 2,3,5,9- tetramethyl, Curlone, and 3-Tert-butyl-4-hydroxyanisole showed the most binding affinity to the receptors that play crucial role in the pathophysiology of PCOS. Conclusion: C. dactylon extract could display positive effects on both the ovary and uterus of letrozole-induced PCOS rats. Therefore, C. dactylon had therapeutic effects on the ovary and uterus of PCOS-induced rat models. [ABSTRACT FROM AUTHOR]

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