In silico Screening and Identification of Inhibitor Molecules Targeting SDS22 protein

نویسندگان

چکیده

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

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ژورنال

عنوان ژورنال: Oriental journal of chemistry

سال: 2023

ISSN: ['0970-020X', '2231-5039']

DOI: https://doi.org/10.13005/ojc/390315