Title:Pharmacognostic, GC-MS, and In silico Molecular Docking Studies of Phytoconstituents from Urtica dioica and Zanthoxylum armatum for Male Antifertility Potential
Volume: 17
Issue: 1
Author(s): Swati Wadhawan, Anurag Chaudhary and Sameksha Koul*
Affiliation:
- School of Pharmacy, Abhilashi University, Mandi, Himachal Pradesh, India
Keywords:
Urtica dioica, Zanthoxylum armatum, molecular docking, GC-MS analysis, phytoconstituents, family planning, contraception, male antifertility.
Abstract:
Background: Research on non-hormonal alternatives to traditional methods of
male contraception has been prompted by the growing world population as well as the need
for effective and reversible treatments. This study aimed to examine the possible antifertility
potential of two medicinal herbs, i.e., Urtica dioica and Zanthoxylum armatum, that have been
utilized for centuries in different cultures.
Methodology: A thorough pharmacognostical analysis was carried out to identify the
ingredients of these plants. The phytoconstituents from Urtica dioica aqueous 96% methanolic
leaf extract and Zanthoxylum armatum fruit essential oil were subjected to in silico molecular
docking screening. The phytoconstituents were profiled using GC-MS analysis. To
investigate how these phytoconstituents interact with important proteins involved in male
fertility and identify potential candidates for the development of a plant-based oral
contraceptive for men, further in silico molecular docking (receptor protein ID of 7FIH (3.20
Å), 7BPR (1.95 Å), and 2Q7J (1.90 Å) experiments were carried out.
Results: The GC-MS analysis revealed a wide variety of bioactive chemicals. Promising
interactions between the discovered phytoconstituents and specific protein targets were found by
the in silico molecular docking investigation, indicating the possibility of antifertility effects.
Conclusion: The results of this study demonstrate the medicinal use of these plants and
provide the basis for the development of novel male contraceptive medicines and their further
experimental validation.
