GC- MS ANALYSIS OF PHYTOCONSTITUENTS OF MICROCOCCUS MERCURIALIS STEM PART AND IN SILICO DOCKING STUDY OF PHYTOL AND 4H-PYRAN-4-ONE, 2,3-DIHYDRO- 3,5-DIHYDROXY-6- METHYL AGAINST BREAST CANCER DRUG TARGETS (ESR-? AND TNF-?)
Authors: Thendral Hepsibha. B , KAMIREDDY SHEERA REDDY

ABSTRACT
Breast cancer has become an overburdened public health issue for Women in both developed and developing countries. Among many risk factors, presence of excess estrogen, estrogen receptor-? and tumour necrosis factor -? are found to be the major cause of breast cancer. This study aimed to qualitatively analyse and screen the phytoconstituents in ethanolic extract of Micrococcus mercurialis stem by GC-MS analysis and binding effect of two phytocompounds phytol and 4H-pyran-4-one, 2,3-dihydro- 3,5-dihydroxy-6-methyl against estrogen receptor-? (ESR-?) and TNF-? by in silico docking method to identify their anticancer potential. Ethanolic extract of Micrococcus mercurialis stem revealed the presence of 26 phytocompounds. Among the two selected phytocompounds, 4H-pyran-4-one, 2,3- dihydro- 3,5-dihydroxy-6-methyl exhibited better binding potential towards both estrogen receptor-? (ESR-?) (- 6.3 Kcal/Mol) and TNF-? (- 5.29 Kcal/Mol) when compared with phytol. The results warrant further in-vitro and in-vivo research to explore the anticancer and anti-inflammatory potential of Micrococcus mercurialis. Key words: Micrococcus mercurialis, Breast cancer, GC-MS analysis, Estrogen receptor-? (ESR-?) and TNF-?, 4H-pyran-4-one, 2,3-dihydro- 3,5-dihydroxy-6-methyl, in silico docking
Publication date: 01/07/2023
    https://ijbpas.com/pdf/2023/July/MS_IJBPAS_2023_7298.pdf
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https://doi.org/10.31032/IJBPAS/2023/12.7.7298