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

Satyender Kumar; Dinesh Kumar; Rakesh K. Sindhu; Seema; Manisha Devi; Sneha Sagar

doi:10.1515/jcim-2024-0099

Article

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

Satyender Kumar , Dinesh Kumar , Rakesh K. Sindhu , Seema , Manisha Devi and Sneha Sagar

Published/Copyright: September 11, 2024

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From the journal Journal of Complementary and Integrative Medicine Volume 21 Issue 4

Abstract

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.

Keywords: Pandanus odoratissimus ; antifertility; antiimplantation; molecular docking; ADME; estrogenic activity

Corresponding authors: Dinesh Kumar, Department of Pharmaceutical Sciences, Central University of Haryana, Mahendergarh, Haryana 123031, India, E-mail: dineshbarbola@yahoo.co.in; and Rakesh Kumar, School of Pharmacy, Sharda University, Knowledge Park-III, Greater Noida 201310, Uttar Pradesh, India, E-mail: drrakeshksindhu@gmail.com

Acknowledgments

Authors are thankful to the Institute of Pharmaceutical Sciences, Kurukshetra, Haryana, India for providing the institutional facilities to carry out this research work.

Research ethics: The local Institutional Review Board deemed the study exempt from review.
Informed consent: Not applicable.
Author contributions: The authors have accepted responsibility for the entire content of this manuscript and approved its submission.
Competing interests: The authors state no conflict of interest.
Research funding: None declared.
Data availability: Not applicable.

References

1. Gupta, D. Demographic dividend or demographic disaster: comparison with China and lessons for India. Int J Adv Res 2023;11:812–20. https://doi.org/10.21474/ijar01/17130.Search in Google Scholar

2. Hertog, S, Gerland, P, Wilmoth, J. India overtakes China as the world’s most populous country. UN DESA Population Division: United Nations; 2023:1–5 pp. https://www.un.org/development/desa/dpad/wp-content/uploads/sites/45/PB153.pdf [Accessed April 2023].Search in Google Scholar

3. Bhagat, R, Rajput, SK. Population growth in India. Int J Adv Res Sci Commun Technol 2023;3:837–8. https://doi.org/10.48175/ijarsct-8936.Search in Google Scholar

4. Hoontrakul, P, Balding, C, Marwah, R. The rise of China and India – its implications. In: The global rise of Asian transformation. New York: Palgrave Macmillan; 2014:133–61 pp.10.1057/9781137412362_6Search in Google Scholar

5. Kulkarni, PM. Shaping India’s population policy and programme: internal factors and external influences. Artha Vijnana 2009;51:12–38. https://doi.org/10.21648/arthavij/2009/v51/i1/115420.Search in Google Scholar

6. Laddunuri, MM. View of population policies and implementation in India: a critical analysis. J Humanities Educ Dev 2020;2:579–87.10.22161/jhed.2.6.24Search in Google Scholar

7. Daniyal, M, Akram, M. Antifertility activity of medicinal plants. J Chin Med Assoc 2015;78:382–8. https://doi.org/10.1016/j.jcma.2015.03.008.Search in Google Scholar PubMed

8. Raj, P, Sarathchandiran, I. A review on antifertility activity of medicinal plants. Int J Res Pharm Nano Sci 2020;9:27–32.10.36673/IJRPNS.2020.v09.i01.A05Search in Google Scholar

9. Lee, FK, Tsui, KH, Wang, PH. Plant products impairing fertility of animals. J Chin Med Assoc 2015;78:377–8. https://doi.org/10.1016/j.jcma.2015.04.005.Search in Google Scholar PubMed

10. Kumar, D, Kumar, A, Prakash, O. Potential antifertility agents from plants: a comprehensive review. J Ethnopharmacol 2012;140:1–32. https://doi.org/10.1016/j.jep.2011.12.039.Search in Google Scholar PubMed

11. Khosla, G, Sharma, V, Shukla, VK. A review on birth control: natural source as anti-fertility agents. Res J Pharm Technol 2022;15:3331–7.10.52711/0974-360X.2022.00557Search in Google Scholar

12. Kumar, S, Dagar, S, Kumar, P, Singh, J, Kumar, S, Kumar, D. Antifertility effect of hydroalcoholic extract of Pandanus odoratissimus L. leaves. Porto Biomed J 2017;2:167–9. https://doi.org/10.1016/j.pbj.2017.03.001.Search in Google Scholar PubMed PubMed Central

13. Adkar, PP, Bhaskar, VH. Pandanus odoratissimus (Kewda): a review on ethnopharmacology, phytochemistry, and nutritional aspects. Adv Pharmacol Sci. 2014;2014:1–19. https://doi.org/10.1155/2014/120895.Search in Google Scholar PubMed PubMed Central

14. Raina, VK, Kumar, A, Srivastava, SK, Syamsundar, KV, Kahol, AP. Essential oil composition of “kewda” (Pandanus odoratissimus) from India. Flavour Fragr J 2004;19:434–6. https://doi.org/10.1002/ffj.1331.Search in Google Scholar

15. Jong, TT, Chau, SW. Antioxidative activities of constituents isolated from Pandanus odoratissimus. Phytochemistry 1998;49:2145–8. https://doi.org/10.1016/s0031-9422(98)00390-2.Search in Google Scholar

16. Kumar, D, Kumar, S, Kumar, S, Singh, J, Sharma, C, Aneja, KR. Antimicrobial and preliminary phytochemical screening of crude leaf extract of Pandanus odoratissimus I. Pharmacologyonline 2010;2:600–10.Search in Google Scholar

17. Suvetha, SP, Sathishkumar, T, Kumaraesan, K, Rapheal, VS, Muthukumaran, V, Thirugnanam, N. Purified novel and new diferuloyl glycerate related phenolic acid from Pandanus odoratissimus flowers shows antioxidant, invertase inhibition and control against diabetic foot ulcer (DFU) causing bacterial pathogens – an in vitro study to establish an effective regulation over type 2 diabetes mellitus. Braz J Pharm Sci 2022;58:e19484. https://doi.org/10.1590/s2175-97902022e19484.Search in Google Scholar

18. TL, MS, Jacob, J, Balasundaram, J, Venkatachalam, G. Preliminary phytochemical screening and GC-MS analysis of methanolic extract of roots of Pandanus fascicularis. Asian J Biol Life Sci 2021;10:626–31. https://doi.org/10.5530/ajbls.2021.10.83.Search in Google Scholar

19. Gebrie, E, Makonnen, E, Debella, A, Zerihun, L. Phytochemical screening and pharmacological evaluations for the antifertility effect of the methanolic root extract of Rumex steudelii. J Ethnopharmacol 2005;96:139–43. https://doi.org/10.1016/j.jep.2004.08.026.Search in Google Scholar PubMed

20. Padmashali, B, Vaidya, V, Vagdevi, H, Satyanarayana, N. Antifertility efficacy of the plant Balanites roxburghii (Balanitaceae) in female rats. Indian J Pharm Sci 2006;68:347–51. https://doi.org/10.4103/0250-474x.26674.Search in Google Scholar

21. Adkar, P, Ambavade, S, Bhaskar, V, Jadhav, P, Shelke, T. Protective effect of leaf extract of Pandanus odoratissimus Linn on experimental model of epilepsy. Int J Nutr Pharmacol Neurol Dis 2014;4:81. https://doi.org/10.4103/2231-0738.129590.Search in Google Scholar

22. Londonkar, R, Kamble, A, Reddy, VC. Anti-inflammatory activity of Pandanus odoratissimus extract. Int J Pharmacol 2010;6:311–4. https://doi.org/10.3923/ijp.2010.311.314.Search in Google Scholar

23. Sasidharan, S, Sumathi, V, Jegathambigai, NR, Latha, LY. Antihyperglycaemic effects of ethanol extracts of Carica papaya and Pandanus amaryfollius leaf in streptozotocin-induced diabetic mice. Nat Prod Res 2011;25:1982–7. https://doi.org/10.1080/14786419.2010.523703.Search in Google Scholar PubMed

24. MoHFW, Government of India. Reference manual for oral contraceptive pills family planning division, 1st ed. New Delhi: Ministry of Health and Family Welfare; 2016, 1:1–113 pp. Available from: https://nhm.gov.in/images/pdf/programmes/family-planing/guidelines/Reference_Manual_Oral_Pills.pdf.Search in Google Scholar

25. Evans, WC, Evans, D. Trease and Evans pharmacognosy, 16th ed. Edinburgh London New York Philadelphia St Louis Sydney Toronto: Saunders Ltd; 2009:1–614 pp. Available from: https://eopcw.com/assets/stores/Pharmacognosy/lecturenote_89182832(Evans,%20Trease%20and%20Evans%20Pharmacognosy)%20William%20Charles%20Evans-Trease%20and%20Evans%E2%80%99%20Pharmacognosy-Saunders%20Ltd.%20(2009).pdf.Search in Google Scholar

26. Khandelwal, K. Practical pharmacognosy – techniques and experiments, preliminary phytochemical screening. Nirali Prakashan; 2008:149–56 pp.Search in Google Scholar

27. Jain, S, Choudhary, GP, Jain, DK. Pharmacological evaluation and antifertility activity of Jatropha gossypifolia in rats. BioMed Res Int 2013;2013. https://doi.org/10.1155/2013/125980.Search in Google Scholar PubMed PubMed Central

28. Ravichandran, V, Suresh, B, Sathishkumar, MN, Elango, K, Srinivasan, R. Antifertility activity of hydroalcoholic extract of Ailanthus excelsa (Roxb): an ethnomedicines used by tribals of Nilgiris region in Tamilnadu. J Ethnopharmacol 2007;112:189–91. https://doi.org/10.1016/j.jep.2007.01.024.Search in Google Scholar PubMed

29. Koneri, R, Saraswati, CD, Balaraman, R, Ajeesha, EA. Antiimplantation activity of the ethanolic root extract of Momordica cymbalaria Fenzl in rats. Indian J Pharmacol 2007;39:90–6. https://doi.org/10.4103/0253-7613.32527.Search in Google Scholar

30. Gupta, M, Mazumder, UK, Vamsi, MLM, Sivakumar, T, Kandar, CC. Anti-steroidogenic activity of the two Indian medicinal plants in mice. J Ethnopharmacol 2004;90:21–5. https://doi.org/10.1016/j.jep.2003.09.002.Search in Google Scholar PubMed

31. Shibeshi, W, Makonnen, E, Zerihun, L, Debella, A. Effect of Achyranthes aspera L. on fetal abortion, uterine and pituitary weights, serum lipids and hormones. Afr Health Sci 2006;6:108–12. https://doi.org/10.5555/afhs.2006.6.2.108.Search in Google Scholar PubMed PubMed Central

32. Sybyl-X. Tripos International, A Ceratra Company, 63144, USA. 2023. p. 1 SYBYL-X Software|Certara. Available from: https://www.certara.com/sybyl-x-software/.Search in Google Scholar

33. Malamas, MS, Manas, ES, McDevitt, RE, Gunawan, I, Xu, ZB, Collini, MD, et al.. Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-β ligands. J Med Chem 2004;47:5021–40. https://doi.org/10.1021/jm049719y.Search in Google Scholar PubMed

34. Sagar, SR, Agarwal, JK, Pandya, DH, Dash, RP, Nivsarkar, M, Vasu, KK. Design, synthesis and biological evaluation of novel pyrazolo-pyrimidinones as DPP-IV inhibitors in diabetes. Bioorg Med Chem Lett 2015;25:4428–33. https://doi.org/10.1016/j.bmcl.2015.09.015.Search in Google Scholar PubMed

35. Benie, T, el Izzi, A, Tahiri, C, Duval, J, Thieulant, ML. Combretodendron Africanum bark extract as an antifertility agent. I: estrogenic effects in vivo and LH release by cultured gonadotrope cells. J Ethnopharmacol 1990;29:13–23. https://doi.org/10.1016/0378-8741(90)90093-9.Search in Google Scholar PubMed

36. Benie, T, Thieulant, ML. Interaction of some traditional plant extracts with uterine oestrogen or progestin receptors. Phytother Res 2003;17:756–60. https://doi.org/10.1002/ptr.1208.Search in Google Scholar PubMed

37. Adams, NR. Detection of the effects of phytoestrogens on sheep and cattle. J Anim Sci 1995;73:1509–15. https://doi.org/10.2527/1995.7351509x.Search in Google Scholar PubMed

38. Psychoyos, A. Recent researches on egg implantation. In: Wolstenholme, GEW, O’Connor, M, editors. Egg implantation in honour of Professor R Courrier. Boston: Little, Brown & Co.; 1966:4 p.Search in Google Scholar

39. Vasudeva, N, Sharma, SK. Post-coital antifertility activity of Achyranthes aspera Linn. root. J Ethnopharmacol 2006;107:179–81. https://doi.org/10.1016/j.jep.2006.03.009.Search in Google Scholar PubMed

40. Levin, ER, Vitex, WS, Hammes, SR. Estrogens and progestins. In: Brunton, LL, Hilal-Dandan, R, Knollman, BC, editors. Goodman and Gilman’s the pharmacological basis of therapeutics, 12th ed. New York: The Mcgraw-Hill Companies Inc.; 2006:803–32 pp.Search in Google Scholar

41. Goodman, LS. Estrogens and progestins. In: Goodman & Gilman’s the pharmacological basis of therapeutics, 9th ed. New York, NY: The Mcgraw-Hill Companies Inc; 1906.Search in Google Scholar

42. Patil, S, Sharangouda. Estrogenic activity of petroleum ether extract of seeds of Citrus medica on immature albino rats. Int J Green Pharm 2008;2:91. https://doi.org/10.4103/0973-8258.41178.Search in Google Scholar

Received: 2024-04-02

Accepted: 2024-08-16

Published Online: 2024-09-11

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Articles in the same Issue

https://doi.org/10.1515/jcim-2024-0099

Keywords for this article

Pandanus odoratissimus; antifertility; antiimplantation; molecular docking; ADME; estrogenic activity