GC-MS ANALYSIS AND PREDICTION OF BIOLOGICAL ACTIVITIES USING MOLECULAR DOCKING OF CODIUM DECORTICATUM (WOODWARD) M. HOWE AGAINST CANCER
نویسندگان
چکیده
Objective: The objective of this study was to analyze the phytochemicals and prediction biological activities in petroleum ether extract marine green macro alga Codium decorticatum (Woodward) M. Howe (Green algae) collected from Mandapam, Tamil Nadu, India. Methods: characterization biochemical done by gas chromatography–mass spectroscopic (GC-MS) spectra analysis were analyzed using Prediction Activity Spectra for Substances (PASS) technique. Results: GC-MS spectral showed a prevailing compound 1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester (100%) with retention time 22.33 min. PASS result 1,933 different kinds activities, namely, anti-cancer (93.5%), anti-seborrheic (89.4%), antieczematic (81.2%), anti-hypercholesterolemic (81.5%), antiviral insulin promoter (79.4%), anti-inflammatory (77.8%). Conclusion: present confirmed inter-molecular hydrogen bonding bioactive active site ARF6 (PDB ID 2w83) binding energy is −7.49 kcal/mol. Four bond interactions at GLY80, THR81, GLY80 site.
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ژورنال
عنوان ژورنال: Asian Journal of Pharmaceutical and Clinical Research
سال: 2022
ISSN: ['0974-2441', '2455-3891']
DOI: https://doi.org/10.22159/ajpcr.2022.v15i5.44076