Abstract

Ritika Saxena^1* and Sanjay Mishra²

DOI : http://dx.doi.org/10.13005/ojc/390315

World's population is increasing at an alarming rate. Contraceptive methods for male are comparatively less common than female. Sperm motility, an indicator for fertilisation, is regulated by a set of proteins of protein phosphatase (PP) family. Among these PP1 is directly related with sperm motility. SDS22 (suppressor of Dis2 mutant 2) is a conserved and extensively expressed PP1 regulator, with less information regarding its function. This study used SDS22 protein from Homo sapiens as target and 100 plant-based compounds as the most relevant lead molecules with highest binding energy and affinity. Furthermore, this research incorporates homology modelling of SDS22 and protein-ligand interaction analysis. Benzeneacetonitrile, 4-hydroxy- had a binding energy of -6.9 kcal mol-1, higher to the reference MDP's -3.5 kcal mol-1, while other ligands exhibited binding energies of -6.2 kcal mol-1 for -terpineol, Coumarin, and 2-Phenylpropan-2-ol. These compounds may reduce the sperm motility and pave a promising path towards male contraception.

Male contraception; Molecular Docking; Protein-ligand interaction; SDS22; Sperm motility

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