David Stephen Arputharaj (2023) In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from Aegle marmelos. Linn., leaves. In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from Aegle marmelos. Linn., leaves. pp. 1-13.

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Abstract

: Bioactive molecules from natural sources having contraceptive
properties were excellent alternatives for modern hormonal contraceptives.
Researchers around the world were working on identifying contraceptive leads
targeting the male reproductive system rather than the usual female
contraceptives. The lack of proper understanding on male contraceptive protein
drug targets leads to insufficient evidence on activities of identified contraceptive
compounds. The proteins specific to the male reproductive system and involved in
sperm-egg fusion will be an excellent drug target to identify the male non-hormonal,
reversible contraceptive leads. Inhibiting sperm hyaluronidase activity by natural non�hormonal compounds will lead to reversible and non-hormonal male contraception.
The Aegle marmelos Linn. is one such important medicinal plant with valuable
phytocompounds, used traditionally as a potential contraceptive measure. The in
vivo experiments on leaf extracts of Aegle marmelos. Linn containing terpenes, sterols,
and alkaloids shows prominent contraceptive activities. Moreover, this study explores
the potential ability of the leaf extract on inhibiting the sperm hyaluronidase action with
additional molecular details on the interaction between sperm hyaluronidases and
three phytocompounds such as aegeline, marmin, and marminol.

Item Type: Article
Uncontrolled Keywords: Aegle marmelos. Linn., natural contraceptives, computer assisted sperm analysis, non�covalent interaction plot, hyaluronidase (HAase)
Divisions: PSG College of Arts and Science > Department of Physics
Depositing User: Mr Team Mosys
Date Deposited: 24 Apr 2024 07:18
Last Modified: 24 Apr 2024 07:18
URI: http://ir.psgcas.ac.in/id/eprint/2148

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