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GC-MS and In Silico Molecular Docking Analysis of Secondary Metabolites Present in Leaf Extract of Cassia occidentalis Linn.

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Medicinal Plants: Biodiversity, Sustainable Utilization and Conservation

Abstract

Solvent extraction of secondary metabolites of Cassia occidentalis leaves was investigated. Phytochemical screening of different solvents, petroleum ether (PLCO), ethyl acetate (ELCO), chloroform (CLCO), and aqueous methanol (ALCO) extractions of leaf powder of C. occidentalis, was investigated as preliminary experiment. Secondary metabolites of potential solvent extraction were then confirmed using gas chromatography-mass spectrometry (GC-MS). A total of eight compounds were identified with qualitative differences in GC MS analysis. Out of eight constituents, octadecanoic acid was identified as one of the major components in chloroform extraction (CLCO). In silico evaluation by molecular docking with alpha amylase revealed that octadecanoic acid is a promising antidiabetic compound.

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Acknowledgments

Authors are thankful to Ratnam Pharmaceutical College, Nellore, and SVIMS, Tirupati, for GC-MS analysis and molecular docking studies.

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Audipudi, A.V., Rajeswari Badri, R., Bhaskar, C.V.S. (2020). GC-MS and In Silico Molecular Docking Analysis of Secondary Metabolites Present in Leaf Extract of Cassia occidentalis Linn.. In: Khasim, S.M., Long, C., Thammasiri, K., Lutken, H. (eds) Medicinal Plants: Biodiversity, Sustainable Utilization and Conservation. Springer, Singapore. https://doi.org/10.1007/978-981-15-1636-8_27

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