Phytochemical screening, molecular docking, antifertility investigations, and ADME potential of various extracts of Pandanus odoratissimus leaves.

Autor:	Kumar S; School of Pharmacy, 193167 Sharda University , Greater Noida, Uttar Pradesh, India., Kumar D; Department of Pharmaceutical Sciences, Central University of Haryana, Mahendergarh, Haryana, India., Sindhu RK; School of Pharmacy, 193167 Sharda University , Greater Noida, Uttar Pradesh, India., Seema; Department of Pharmaceutical Sciences, HIMT College of Pharmacy, Greater Noida, Uttar Pradesh, India., Devi M; Department of Pharmaceutical Sciences, HIMT College of Pharmacy, Greater Noida, Uttar Pradesh, India., Sagar S; National Forensic Sciences University, Ponda, Goa, India.
Jazyk:	angličtina
Zdroj:	Journal of complementary & integrative medicine [J Complement Integr Med] 2024 Sep 11; Vol. 21 (4), pp. 490-500. Date of Electronic Publication: 2024 Sep 11 (Print Publication: 2024).
DOI:	10.1515/jcim-2024-0099
Abstrakt:	Objectives: The purpose of this study was to explore the molecular docking characteristics and antifertility impacts of petroleum ether extract (PEEPO) and chloroform (CHEPO) derived from Pandanus odoratissimus (PO) leaves. Methods: TriposSybyl-X 2.1 for molecular docking and Swiss ADME for ADME predictions were used. Antifertility activity was determined by using two in vivo animal models, with a focus on estrogenic/antiestrogenic activity and anti-implantation effects. Results: The findings showed that at different doses (100, 200, and 400 mg/kg), PEEPO had more anti-implantation effect than CHEPO. After taking either extract orally for up to 4,000 mg/kg, no acute toxicity was found. Furthermore, both extracts substantially raised blood oestrogen levels while lowering serum cholesterol and LDL levels, improving their antiimplantation and estrogenic activities, whether given alone or in combination with ethinyl estradiol. Molecular docking scores suggested strong interactions between phytochemicals in the extracts and estrogen receptors. ADME studies highlighted four phytochemicals present in PO leaves, showing high gastrointestinal absorption, blood-brain barrier permeability, and negative Log Kp values, indicating their potential as antifertility agents. Conclusions: The phytochemicals in both PEEPO and CHEPO demonstrated promising antifertility potential and interactions with estrogen receptors. Isolation of these phytochemicals could lead to the development of effective herbal antifertility formulations. (© 2024 Walter de Gruyter GmbH, Berlin/Boston.)
Databáze:	MEDLINE
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